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Journal of Mathematical Chemistry

Short Title: J. Math. Chem.
Publisher: Springer International Publishing, Cham
ISSN: 0259-9791; 1572-8897/e
Online: https://link.springer.com/journal/10910/volumes-and-issues
Comments: Journal; Indexed cover-to-cover
Documents Indexed: 3,109 Publications (since 1994)
References Indexed: 2,711 Publications with 94,120 References.
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Latest Issues

62, No. 9 (2024)
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62, No. 7 (2024)
62, No. 6 (2024)
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57, No. 10 (2019)
57, No. 9 (2019)
57, No. 8 (2019)
57, No. 7 (2019)
57, No. 6 (2019)
57, No. 5 (2019)
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57, No. 3 (2019)
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56, No. 10 (2018)
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56, No. 8 (2018)
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56, No. 6 (2018)
56, No. 5 (2018)
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55, No. 10 (2017)
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55, No. 8 (2017)
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55, No. 6 (2017)
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54, No. 10 (2016)
54, No. 9 (2016)
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53, No. 10 (2015)
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53, No. 6 (2015)
53, No. 5 (2015)
53, No. 4 (2015)
53, No. 3 (2015)
53, No. 2 (2015)
53, No. 1 (2015)
52, No. 10 (2014)
...and 145 more Volumes
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Authors

166 Simos, Theodore E.
112 Carbó-Dorca, Ramon
54 Belkić, Dževad
41 Belkić, Karen
41 Demiralp, Metin
35 Nalewajski, Roman F.
33 Fujita, Shinsaku
33 Guseinov, Israfil I.
32 Fernández, Francisco Marcelo
32 Mezey, Paul G.
30 Besalú, Emili
29 Gutman, Ivan M.
28 Alolyan, Ibraheem
28 Ivanauskas, Feliksas. F.
27 Balasubramanian, Krishnan
26 Lim, Teik-Cheng
25 Rabitz, Herschel A.
23 Vigo-Aguiar, Jesus
23 Zhang, Heping
21 Castro, Eduardo A.
21 Klein, Douglas J.
21 Lin, Chialiang
21 March, Norman H.
21 Rosenfeld, Vladimir Raphael
20 Mamedov, Bahtiyar A.
20 Zhou, Bo
19 Arimoto, Shigeru
19 Fang, Yonglei
19 Sever, Ramazan
19 Trinajstić, Nenad
18 Došlić, Tomislav
18 Marmorino, M. G.
18 Vukičević, Damir
17 Bucknum, Michael John
17 Diudea, Mircea V.
17 Zhang, Fuji
16 Berberan-Santos, Mário N.
15 Cordero, Alicia
15 Magreñán, Ángel Alberto
15 Merkin, John H.
15 Roul, Pradip
15 Torregrosa Sanchez, Juan Ramón
14 Baronas, Romas
14 Jia, Jiteng
14 Randić, Milan
14 Varon, Ramón
13 Macías-Díaz, Jorge Eduardo
13 Sigarreta Almira, José María
12 Ayers, Paul W.
12 Cassam-Chenaï, Patrick
12 Chen, Lansun
12 Garcia-Moreno, Manuela
12 Hill, James Murray
12 Medvedev, Maxim A.
12 Strekalov, Mikhail L.
11 Argyros, Ioannis Konstantinos
11 Baowan, Duangkamon
11 Deng, Hanyuan
11 Flores-Gallegos, Nelson
11 Li, Genyuan
11 Medvedeva, Marina A.
11 Pogliani, Lionello
11 Ramos, Higinio
11 Sidhu, Harvinder Singh
11 Wang, Guichang
11 Xu, Xiufang
11 Zhao, Xuezhuang
11 Živković, Tomislav P.
10 Anastassi, Zacharias A.
10 Balaban, Alexandru T.
10 Karimi, Sasan
10 Kulys, Juozas
10 Lewinter, Marty
10 Li, Ruifang
10 Mendoza, Eduardo R.
10 Rajendran, L.
10 Rodríguez García, José Manuel
10 Skakauskas, Vladas
10 Taşeli, Hasan
10 Wazwaz, Abdul-Majid Abdul-Rahman
10 You, Xiong
9 Arribas, Enrique
9 Avery, John Scales
9 Bayón, Luis
9 Gubernov, Vladimir Vladimirovich
9 Li, Risong
9 Paldus, Josef
9 Shang, Zhenfeng
9 Sicilia, Juan Antonio
9 Singh, Randhir
9 Suárez, Pedro Maria
9 Szederkényi, Gábor
9 Temme, F. P.
9 Tikhonov, Nikolaï A.
8 Arteca, Gustavo A.
8 Banerjee, Kinshuk
8 Brinkmann, Gunnar
8 Chakraborty, Tanmoy
8 Chauvin, Remi
8 Cox, Barry James
...and 3,252 more Authors
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Fields

1,740 Biology and other natural sciences (92-XX)
818 Quantum theory (81-XX)
555 Numerical analysis (65-XX)
444 Combinatorics (05-XX)
272 Ordinary differential equations (34-XX)
255 Partial differential equations (35-XX)
230 Statistical mechanics, structure of matter (82-XX)
132 Classical thermodynamics, heat transfer (80-XX)
126 Dynamical systems and ergodic theory (37-XX)
82 Statistics (62-XX)
74 Special functions (33-XX)
73 Linear and multilinear algebra; matrix theory (15-XX)
70 Probability theory and stochastic processes (60-XX)
70 Information and communication theory, circuits (94-XX)
52 Fluid mechanics (76-XX)
50 Optics, electromagnetic theory (78-XX)
47 Group theory and generalizations (20-XX)
46 Approximations and expansions (41-XX)
46 Operator theory (47-XX)
45 Mechanics of particles and systems (70-XX)
37 Computer science (68-XX)
36 Convex and discrete geometry (52-XX)
32 Calculus of variations and optimal control; optimization (49-XX)
30 Systems theory; control (93-XX)
27 Harmonic analysis on Euclidean spaces (42-XX)
26 Manifolds and cell complexes (57-XX)
25 General and overarching topics; collections (00-XX)
25 Operations research, mathematical programming (90-XX)
24 Number theory (11-XX)
24 Real functions (26-XX)
24 Mechanics of deformable solids (74-XX)
20 Topological groups, Lie groups (22-XX)
20 Functional analysis (46-XX)
17 Integral transforms, operational calculus (44-XX)
16 Geometry (51-XX)
15 Integral equations (45-XX)
12 Difference and functional equations (39-XX)
11 Global analysis, analysis on manifolds (58-XX)
10 Measure and integration (28-XX)
9 Mathematical logic and foundations (03-XX)
9 Algebraic geometry (14-XX)
9 Functions of a complex variable (30-XX)
9 Differential geometry (53-XX)
8 Sequences, series, summability (40-XX)
8 General topology (54-XX)
8 Relativity and gravitational theory (83-XX)
7 Order, lattices, ordered algebraic structures (06-XX)
7 Astronomy and astrophysics (85-XX)
6 Associative rings and algebras (16-XX)
6 Potential theory (31-XX)
6 Game theory, economics, finance, and other social and behavioral sciences (91-XX)
5 Nonassociative rings and algebras (17-XX)
4 History and biography (01-XX)
4 Commutative algebra (13-XX)
4 Geophysics (86-XX)
3 Several complex variables and analytic spaces (32-XX)
2 Abstract harmonic analysis (43-XX)
2 Algebraic topology (55-XX)
1 Category theory; homological algebra (18-XX)
1 \(K\)-theory (19-XX)
1 Mathematics education (97-XX)

Publications by Year

Citations contained in zbMATH Open

2,083 Publications have been cited 16,221 times in 6,245 Documents Cited by Year
A forgotten topological index. Zbl 1317.05031
Furtula, Boris; Gutman, Ivan
198
2015
Topological index based on the ratios of geometrical and arithmetical means of end-vertex degrees of edges. Zbl 1200.92054
Vukičević, Damir; Furtula, Boris
170
2009
On a novel connectivity index. Zbl 1197.92060
Zhou, Bo; Trinajstić, Nenad
155
2009
On general sum-connectivity index. Zbl 1195.92083
Zhou, Bo; Trinajstić, Nenad
148
2010
General foundations of high-dimensional model representations. Zbl 0957.93004
Rabitz, Herschel; Alış, Ömer F.
137
1999
Augmented Zagreb index. Zbl 1196.92050
Furtula, Boris; Graovac, Ante; Vukičević, Damir
104
2010
A Runge-Kutta type implicit high algebraic order two-step method with vanished phase-lag and its first, second, third and fourth derivatives for the numerical solution of coupled differential equations arising from the Schrödinger equation. Zbl 1318.65039
Mu, Kenan; Simos, T. E.
102
2015
A new two-step hybrid method for the numerical solution of the Schrödinger equation. Zbl 1200.81051
Konguetsof, A.
100
2010
A new two stage symmetric two-step method with vanished phase-lag and its first, second, third and fourth derivatives for the numerical solution of the radial Schrödinger equation. Zbl 1349.65222
Zhou, Zhou; Simos, T. E.
99
2016
A new Numerov-type method for the numerical solution of the Schrödinger equation. Zbl 1183.81060
Simos, T. E.
97
2009
A modified phase-fitted Runge-Kutta method for the numerical solution of the Schrödinger equation. Zbl 1003.65082
Simos, T. E.; Aguiar, Jesus Vigo
95
2001
A new family of two stage symmetric two-step methods with vanished phase-lag and its derivatives for the numerical integration of the Schrödinger equation. Zbl 1329.65142
Hui, Fei; Simos, T. E.
95
2015
A family of two-stage two-step methods for the numerical integration of the Schrödinger equation and related IVPs with oscillating solution. Zbl 1198.81075
Anastassi, Z. A.; Simos, T. E.
94
2009
Trigonometrically fitted Runge-Kutta methods for the numerical solution of the Schrödinger equation. Zbl 1070.81035
Anastassi, Z. A.; Simos, T. E.
91
2005
Symmetric eighth algebraic order methods with minimal phase-lag for the numerical solution of the Schrödinger equation. Zbl 1002.65078
Simos, T. E.; Vigo-Aguiar, Jesus
91
2002
Two-step high order hybrid explicit method for the numerical solution of the Schrödinger equation. Zbl 1198.81092
Konguetsof, A.
91
2010
Two optimized symmetric eight-step implicit methods for initial-value problems with oscillating solutions. Zbl 1198.81099
Panopoulos, G. A.; Anastassi, Z. A.; Simos, T. E.
86
2009
Family of twelve steps exponential fitting symmetric multistep methods for the numerical solution of the Schrödinger equation. Zbl 1014.81055
Vigo-Aguiar, J.; Simos, T. E.
84
2002
A low computational cost eight algebraic order hybrid method with vanished phase-lag and its first, second, third and fourth derivatives for the approximate solution of the Schrödinger equation. Zbl 1331.65098
Ning, Hang; Simos, T. E.
81
2015
Construction of trigonometrically and exponentially fitted Runge–Kutta–Nyström methods for the numerical solution of the Schrödinger equation and related problems – a method of 8th algebraic order. Zbl 1002.65077
Kalogiratou, Z.; Simos, T. E.
81
2002
An economical eighth-order method for the approximation of the solution of the Schrödinger equation. Zbl 1422.65115
Wang, Zhiwei; Simos, T. E.
80
2017
A family of multiderivative methods for the numerical solution of the Schrödinger equation. Zbl 1070.81045
Sakas, D. P.; Simos, T. E.
77
2005
A family of exponentially-fitted Runge-Kutta methods with exponential order up to three for the numerical solution of the Schrödinger equation. Zbl 1125.81017
Anastassi, Z. A.; Simos, T. E.
76
2007
High order closed Newton-Cotes exponentially and trigonometrically fitted formulae as multilayer symplectic integrators and their application to the radial Schrödinger equation. Zbl 1403.81016
Simos, T. E.
76
2012
Exponentially-fitted multiderivative methods for the numerical solution of the Schrödinger equation. Zbl 1050.65074
Simos, T. E.
75
2004
A new explicit Bessel and Neumann fitted eighth algebraic order method for the numerical solution of the Schrödinger equation. Zbl 1014.81012
Simos, T. E.
74
2000
Symplectic methods for the numerical solution of the radial Schrödinger equation. Zbl 1029.65134
Tselios, Kostas; Simos, T. E.
74
2003
Exponentially fitted symplectic methods for the numerical integration of the Schrödinger equation. Zbl 1073.65071
Monovasilis, Th.; Kalogiratou, Z.; Simos, T. E.
73
2005
A generator and an optimized generator of high-order hybrid explicit methods for the numerical solution of the Schrödinger equation. II: Development of the generator, optimization of the generator and numerical results. Zbl 1022.81009
Avdelas, G.; Konguetsof, A.; Simos, T. E.
73
2001
New P-stable eighth algebraic order exponentially-fitted methods for the numerical integration of the Schrödinger equation. Zbl 1078.65061
Avdelas, G.; Kefalidis, E.; Simos, T. E.
73
2002
A family of trigonometrically-fitted symmetric methods for the efficient solution of the Schrödinger equation and related problems. Zbl 1029.65079
Simos, T. E.
72
2003
A generator and an optimized generator of high-order hybrid explicit methods for the numerical solution of the Schrödinger equation. I: Development of the basic method. Zbl 1022.81008
Avdelas, G.; Konguetsof, A.; Simos, T. E.
71
2001
New high order multiderivative explicit four-step methods with vanished phase-lag and its derivatives for the approximate solution of the Schrödinger equation. I: construction and theoretical analysis. Zbl 1270.81083
Simos, T. E.
71
2013
A finite difference pair with improved phase and stability properties. Zbl 1384.65050
Yan, Ke; Simos, T. E.
71
2018
Sixth algebraic order trigonometrically fitted predictor-corrector methods for the numerical solution of the radial Schrödinger equation. Zbl 1070.81044
Psihoyios, G.; Simos, T. E.
70
2005
Trigonometrically fitted and exponentially fitted symplectic methods for the numerical integration of the Schrödinger equation. Zbl 1125.81021
Monovasilis, Th.; Kalogiratou, Z.; Monovasilis, Th.; Simos, T. E.
69
2006
Symplectic methods of fifth order for the numerical solution of the radial Schrödinger equation. Zbl 1044.81031
Tselios, Kostas; Simos, T. E.
68
2004
An explicit four-step method with vanished phase-lag and its first and second derivatives. Zbl 1297.65084
Simos, T. E.
64
2014
A Runge-Kutta type four-step method with vanished phase-lag and its first and second derivatives for each level for the numerical integration of the Schrödinger equation. Zbl 1300.65050
Alolyan, Ibraheem; Simos, T. E.
62
2014
The numerical solution of the radial Schrödinger equation via a trigonometrically fitted family of seventh algebraic order predictor-corrector methods. Zbl 1125.81022
Psihoyios, G.; Simos, T. E.
62
2006
New second-order exponentially and trigonometrically fitted symplectic integrators for the numerical solution of the time-independent Schrödinger equation. Zbl 1132.81344
Monovasilis, Th.; Simos, T. E.
62
2007
A four-step exponentially fitted method for the numerical solution of the Schrödinger equation. Zbl 1125.81023
Simos, T. E.
61
2006
A hybrid type four-step method with vanished phase-lag and its first, second and third derivatives for each level for the numerical integration of the Schrödinger equation. Zbl 1307.65106
Alolyan, Ibraheem; Simos, T. E.
57
2014
An optimized explicit Runge-Kutta method with increased phase-lag order for the numerical solution of the Schrödinger equation and related problems. Zbl 1200.81052
Kosti, A. A.; Anastassi, Z. A.; Simos, T. E.
57
2010
A family of explicit linear six-step methods with vanished phase-lag and its first derivative. Zbl 1301.65068
Alolyan, Ibraheem; Simos, T. E.
56
2014
Efficient low computational cost hybrid explicit four-step method with vanished phase-lag and its first, second, third and fourth derivatives for the numerical integration of the Schrödinger equation. Zbl 1325.65099
Alolyan, Ibraheem; Simos, T. E.
55
2015
Unicyclic graphs with minimal energy. Zbl 0977.05085
Hou, Yaoping
55
2001
Closed Newton-Cotes trigonometrically-fitted formulae of high order for the numerical integration of the Schrödinger equation. Zbl 1217.65054
Simos, T. E.
54
2008
Cyclical edge-connectivity of fullerene graphs and \((k,6)\)-cages. Zbl 1018.92036
Došlić, Tomislav
53
2003
A unification of chirality measures. Zbl 0865.92026
Weinberg, Noham; Mislow, Kurt
52
1995
Solving coupled Lane-Emden boundary value problems in catalytic diffusion reactions by the Adomian decomposition method. Zbl 1311.92222
Rach, Randolph; Duan, Jun-Sheng; Wazwaz, Abdul-Majid
52
2014
A new explicit hybrid four-step method with vanished phase-lag and its derivatives. Zbl 1297.65085
Simos, T. E.
52
2014
Identifiability of chemical reaction networks. Zbl 1145.92040
Craciun, Gheorghe; Pantea, Casian
52
2008
A hybrid method with phase-lag and derivatives equal to zero for the numerical integration of the Schrödinger equation. Zbl 1304.65170
Konguetsof, A.
52
2011
Kinetic approach to chemical reactions and inelastic transitions in a rarefied gas. Zbl 1048.92502
Groppi, M.; Spiga, G.
52
1999
A family of four-step trigonometrically-fitted methods and its application to the Schrödinger equation. Zbl 1217.65139
Simos, T. E.
51
2008
Exponential Fitting method for the time-dependent Schrödinger equation. Zbl 1198.81100
Rizea, M.
51
2010
A new four stages symmetric two-step method with vanished phase-lag and its first derivative for the numerical integration of the Schrödinger equation. Zbl 1345.65048
Liang, Minjian; Simos, T. E.
50
2016
A second-order scheme for the “Brusselator” reaction-diffusion system. Zbl 1016.92049
Twizell, E. H.; Gumel, A. B.; Cao, Q.
49
2000
A generator of families of two-step numerical methods with free parameters and minimal phase-lag. Zbl 1421.65017
Konguetsof, A.
49
2017
A high algebraic order multistage explicit four-step method with vanished phase-lag and its first, second, third, fourth and fifth derivatives for the numerical solution of the Schrödinger equation. Zbl 1325.65100
Alolyan, Ibraheem; Simos, T. E.
48
2015
Efficient implementation of high dimensional model representations. Zbl 1051.93502
Alis, Ömer F.; Rabitz, Herschel
48
2001
A predictor-corrector explicit four-step method with vanished phase-lag and its first, second and third derivatives for the numerical integration of the Schrödinger equation. Zbl 1318.65042
Alolyan, Ibraheem; Simos, T. E.
47
2015
Some embedded modified Runge-Kutta methods for the numerical solution of some specific Schrödinger equations. Zbl 0915.65084
Simos, T. E.
47
1998
A high algebraic order predictor-corrector explicit method with vanished phase-lag and its first, second, third and fourth derivatives for the numerical solution of the Schrödinger equation and related problems. Zbl 1331.65093
Alolyan, Ibraheem; Simos, T. E.
47
2015
Dynamic analysis of Michaelis-Menten chemostat-type competition models with time delay and pulse in a polluted environment. Zbl 1194.92075
Meng, Xinzhu; Li, Zhenqing; Nieto, Juan J.
46
2010
A three-stages multistep teeming in phase algorithm for computational problems in chemistry. Zbl 1417.81172
Medvedev, Maxim A.; Simos, T. E.
46
2019
A two-step method with vanished phase-lag and its first two derivatives for the numerical solution of the Schrödinger equation. Zbl 1304.65177
Simos, T. E.
46
2011
A new optimized symmetric 8-step semi-embedded predictor-corrector method for the numerical solution of the radial Schrödinger equation and related orbital problems. Zbl 1312.65117
Panopoulos, G. A.; Simos, T. E.
45
2013
An efficient and computational effective method for second order problems. Zbl 1422.65113
Ma, Jing; Simos, T. E.
45
2017
Bifurcation analysis of reaction-diffusion Schnakenberg model. Zbl 1320.92088
Liu, Ping; Shi, Junping; Wang, Yuwen; Feng, Xiuhong
44
2013
Mostar index. Zbl 1406.92750
Došlić, Tomislav; Martinjak, Ivica; Škrekovski, Riste; Tipurić Spužević, Sanja; Zubac, Ivana
43
2018
Atoms of multistationarity in chemical reaction networks. Zbl 1352.92186
Joshi, Badal; Shiu, Anne
41
2013
A Haar wavelet-finite difference hybrid method for the numerical solution of the modified Burgers’ equation. Zbl 1331.65123
Oruç, Ö.; Bulut, F.; Esen, A.
40
2015
Extremal values of the Sombor index in unicyclic and bicyclic graphs. Zbl 1462.05071
Cruz, Roberto; Rada, Juan
40
2021
Monotone chemical reaction networks. Zbl 1117.80309
De Leenheer, Patrick; Angeli, David; Sontag, Eduardo D.
38
2007
Bifurcation analysis and chaos control in discrete-time glycolysis models. Zbl 1384.92030
Din, Qamar
37
2018
A constructive approach to quasi-steady state reductions. Zbl 1331.92172
Goeke, Alexandra; Walcher, Sebastian
36
2014
Dynamic behaviors of Monod type chemostat model with impulsive perturbation on the nutrient concentration. Zbl 1217.34125
Sun, Shulin; Chen, Lansun
36
2007
The Estrada index of chemical trees. Zbl 1309.92085
Ilić, Aleksandar; Stevanović, Dragan
36
2010
Minimum general sum-connectivity index of unicyclic graphs. Zbl 1293.05048
Du, Zhibin; Zhou, Bo; Trinajstić, Nenad
36
2010
On resistance-distance and Kirchhoff index. Zbl 1187.92092
Zhou, Bo; Trinajstić, Nenad
36
2009
A new high algebraic order four stages symmetric two-step method with vanished phase-lag and its first and second derivatives for the numerical solution of the Schrödinger equation and related problems. Zbl 1360.65193
Xi, Xiaopeng; Simos, T. E.
35
2016
A family of P-stable eighth algebraic order methods with exponential fitting facilities. Zbl 0995.81506
Aguiar, J. V.; Simos, T. E.
35
2001
Bounds for the Kirchhoff index via majorization techniques. Zbl 1327.05066
Bianchi, Monica; Cornaro, Alessandra; Palacios, José Luis; Torriero, Anna
35
2013
On the convergence of Mickens’ type nonstandard finite difference schemes on Lane-Emden type equations. Zbl 1448.65121
Verma, Amit Kumar; Kayenat, Sheerin
35
2018
Landscapes and their correlation functions. Zbl 1002.92547
Stadler, Peter F.
34
1996
On Harary index. Zbl 1217.05216
Zhou, Bo; Cai, Xiaochun; Trinajstić, Nenad
34
2008
High algebraic order methods with vanished phase-lag and its first derivative for the numerical solution of the Schrödinger equation. Zbl 1202.81027
Alolyan, Ibraheem; Simos, T. E.
34
2010
Numerical solution of nonlinear singularly perturbed problems on nonuniform meshes by using a non-standard algorithm. Zbl 1304.65180
Ramos, Higinio; Vigo-Aguiar, J.; Natesan, S.; García-Rubio, R.; Queiruga, M. A.
34
2010
Embedded eighth order methods for the numerical solution of the Schrödinger equation. Zbl 0954.65061
Avdelas, G.; Simos, T. E.
34
2000
Eighth order methods with minimal phase-lag for accurate computations for the elastic scattering phase-shift problem. Zbl 0900.81031
Simos, T. E.
33
1997
High dimensional model representations generated from low dimensional data samples. I: mp-cut-HDMR. Zbl 1023.81521
Li, Genyuan; Wang, Sheng-Wei; Rosenthal, Carey; Rabitz, Herschel
33
2001
Terminal Wiener index. Zbl 1310.05075
Gutman, Ivan; Furtula, Boris; Petrović, Miroslav
33
2009
A family of \(P\)-stable exponentially-fitted methods for the numerical solution of the Schrödinger equation. Zbl 0954.65064
Simos, T. E.
33
1999
Sombor index: review of extremal results and bounds. Zbl 1492.92156
Liu, Hechao; Gutman, Ivan; You, Lihua; Huang, Yufei
33
2022
An efficient and economical high order method for the numerical approximation of the Schrödinger equation. Zbl 1383.65083
Yang, Lan; Simos, T. E.
33
2017
The ABC matrix. Zbl 1380.92097
Estrada, Ernesto
32
2017
An effective computational technique for a class of Lane-Emden equations. Zbl 1349.65259
Singh, Mandeep; Verma, Amit K.
31
2016
On lower bounds of number of perfect matchings in fullerene graphs. Zbl 0918.92025
Došlić, Tomislav
31
1998
Weakly reversible single linkage class realizations of polynomial dynamical systems: an algorithmic perspective. Zbl 07796566
Craciun, Gheorghe; Deshpande, Abhishek; Jin, Jiaxin
3
2024
Optimized derivative fast Fourier transform with high resolution and low noise from encoded time signals: ovarian NMR spectroscopy. Zbl 1533.92111
Belkić, Dževad; Belkić, Karen
2
2024
An efficient multi-derivative numerical method for chemical boundary value problems. Zbl 1534.92003
Celik, Esra; Tunc, Huseyin; Sari, Murat
1
2024
An exceedingly effective and inexpensive two-step, fourteenth-order phase-fitting method for solving quantum chemical issues. Zbl 1534.65102
Medvedeva, Marina A.; Simos, T. E.
1
2024
Quantum-mechanical four-body versus semi-classical three-body theories for double charge exchange in collisions of fast alpha particles with helium targets. Zbl 1541.81030
Belkić, Dževad
1
2024
In vivo brain MRS at a 1.5T clinical scanner: optimized derivative fast Fourier transform for high-resolution spectra from time signals encoded with and without water suppression. Zbl 07887312
Belkić, Dževad; Belkić, Karen
1
2024
A time two-grid difference method for nonlinear generalized viscous Burgers’ equation. Zbl 1543.65136
Shi, Yang; Yang, Xuehua
1
2024
Improved energy formula for highly excited vibrational states of Kratzer-Fues oscillator. Zbl 1537.81107
Molski, Marcin
1
2024
Numerical solution of some stiff systems arising in chemistry via Taylor wavelet collocation method. Zbl 1535.65117
Manohara, G.; Kumbinarasaiah, S.
1
2024
Applications of the inverse degree index to molecular structures. Zbl 1531.05053
Molina, Edil D.; Rodríguez, José M.; Sánchez, José L.; Sigarreta, José M.
1
2024
Theoretical model for the prediction of lattice energy of diatomic metal halides. Zbl 1537.81222
Pandey, Anjani K.; Dixit, Chandra K.; Srivastava, Shivam
1
2024
An effective multistep fourteenth-order phase-fitting approach to solving chemistry problems. Zbl 07914739
Huang, Hui; Liu, Cheng; Lin, Chia-Liang; Simos, T. E.
1
2024
Dynamical behavior of a classical stochastic delayed chemostat model. Zbl 07914740
Zhang, Xiaofeng; Sun, Shulin
1
2024
The use of a multistep, cost-efficient fourteenth-order phase-fitting method to chemistry problems. Zbl 07914735
Xu, Rong; Sun, Bin; Lin, Chia-Liang; Simos, T. E.
1
2024
Solution to quantum chemistry problems using a phase-fitting, singularly P-stable, cost-effective two-step approach with disappearing phase-lag derivatives up to order 5. Zbl 1512.65141
Sun, Bin; Lin, Chia-Liang; Simos, T. E.
10
2023
Highly efficient, singularly P-stable, and low-cost phase-fitting two-step method of 14th order for problems in chemistry. Zbl 1515.65196
Lin, Chia-Liang; Simos, T. E.
8
2023
Comparative analysis of carbon cycle models via kinetic representations. Zbl 1516.92136
Fortun, Noel T.; Mendoza, Eduardo R.
5
2023
Some new results on energy of graphs with self loops. Zbl 1516.05131
Popat, Kalpesh M.; Shingala, Kunal R.
5
2023
Phase-fitting, singularly P-stable, cost-effective two-step approach to solving problems in quantum chemistry with vanishing phase-lag derivatives up to order 6. Zbl 1515.65195
Lin, Chia-Liang; Simos, T. E.
4
2023
A close-up to the bond-breaking and bond-forming using information theory. Zbl 1521.81495
Flores-Gallegos, N.
4
2023
Two-step, fourteenth-order, phase-fitting procedure with high efficiency and minimal cost for chemical problems. Zbl 07724033
Bao, Wei; Lin, Chia-Liang; Sun, Bin; Simos, T. E.
4
2023
A new one-step method with three intermediate points in a variable step-size mode for stiff differential systems. Zbl 1512.65124
Ramos, Higinio; Rufai, Mufutau Ajani
3
2023
Inverse problem for reconstruction of components from derivative envelope in ovarian MRS: citrate quartet as a cancer biomarker with considerably decreased levels in malignant vs benign samples. Zbl 1511.92034
Belkić, Dževad; Belkić, Karen
3
2023
Positive equilibria of power law kinetics on networks with independent linkage classes. Zbl 1519.92365
Hernandez, Bryan S.; Mendoza, Eduardo R.
3
2023
Exponential topological indices: optimal inequalities and applications. Zbl 1511.05046
Carballosa, Walter; Quintana, Yamilet; Rodríguez, José M.; Sigarreta, José M.
3
2023
A robust numerical technique for weakly coupled system of parabolic singularly perturbed reaction-diffusion equations. Zbl 07695650
Singh, Satpal; Kumar, Devendra; Vigo-Aguiar, J.
3
2023
Solution of quantum chemical problems by a very effective and relatively inexpensive two-step, fourteenth-order, phase-fitting procedure. Zbl 07745948
Medvedeva, Marina A.; Simos, T. E.
3
2023
Derivative shape estimations with resolved overlapped peaks and reduced noise for time signals encoded by NMR spectroscopy with and without water suppression. Zbl 1522.92092
Belkić, Dževad; Belkić, Karen
3
2023
An approach to local electron energy in atoms through Rényi’s entropy. Zbl 07673446
Flores-Gallegos, N.
2
2023
Quantum similarity index and Rényi complexity ratio of Kratzer type potential and compared with that of inverse square and Coulomb type potentials. Zbl 1521.81020
Nath, Debraj; Carbó-Dorca, Ramon
2
2023
Turing instability and pattern formation in a diffusive Sel’kov-Schnakenberg system. Zbl 1514.35444
Wang, Yong; Zhou, Xu; Jiang, Weihua; Qi, Liangping
2
2023
Codimension-2 bifurcations on the curve of the Neimark-Sacker bifurcation for a discrete-time chemical model. Zbl 1511.39017
Eskandari, Zohreh; Ghaziani, R. Khoshsiar; Avazzadeh, Zakieh; Li, Bo
2
2023
Fermi-Dirac entropy as a measure of electron interactions. Zbl 1523.81099
Flores-Gallegos, N.
2
2023
Second-order convergent scheme for time-fractional partial differential equations with a delay in time. Zbl 07643849
Choudhary, Renu; Kumar, Devendra; Singh, Satpal
2
2023
Difference methods for stochastic space fractional diffusion equation driven by additive space-time white noise via Wong-Zakai approximation. Zbl 1506.65131
Singh, Abhishek Kumar; Mehra, Mani
2
2023
3-point block backward differentiation formula with an off-step point for the solutions of stiff chemical reaction problems. Zbl 07643851
Soomro, Hira; Zainuddin, Nooraini; Daud, Hanita; Sunday, Joshua; Jamaludin, Noraini; Abdullah, Abdullah; Mulono, Apriyanto; Kadir, Evizal Abdul
2
2023
An optimal eighth order derivative free multiple root finding numerical method and applications to chemistry. Zbl 1515.65121
Zafar, Fiza; Cordero, Alicia; Ashraf, Ifra; Torregrosa, Juan R.
2
2023
On the modified generalized multidimensional KP equation in plasma physics and fluid dynamics in \((3+1)\) dimensions. Zbl 1505.35307
Sáez, S.
2
2023
Accurate and efficient flux-corrected finite volume approximation for the fragmentation problem. Zbl 07724028
Paul, Jayanta; Ghosh, Debdulal; Kumar, Jitendra
2
2023
An approach to chemical hardness through Shannon’s entropy. Zbl 1530.81020
Flores-Gallegos, N.; Flores-Gómez, L.
2
2023
Solution of quantum chemical problems using an extremely successful and reasonably cost two-step, fourteenth-order phase-fitting approach. Zbl 07745938
Du, Yu; Lin, Chia-Liang; Sun, Bin; Simos, T. E.
2
2023
A network-based parametrization of positive steady states of power-law kinetic systems. Zbl 1522.92023
Hernandez, Bryan S.; Buendicho, Kaitlyn Deen E.
2
2023
Various mechanisms for double capture from helium targets by alpha particles. Zbl 1532.81065
Belkić, Dževad
2
2023
Information-theoretic spreading measures of a particle confined in a 3D infinite spherical well. Zbl 1543.81032
Nath, Debraj; Carbó-Dorca, Ramon
1
2023
An efficient algorithm combining an optimized hybrid block method and the differential quadrature method for solving Hunter-Saxton equation. Zbl 1519.65045
Kaur, Anurag; Kanwar, V.; Ramos, Higinio
1
2023
High-energy two-electron transfer in ion-atom collisions. Zbl 1521.81421
Belkić, Dževad
1
2023
Energy and information-entropic measures of Hulthén potential in \(D\) dimension by a new approximation to centrifugal term. Zbl 1512.94043
Nath, Debraj; Roy, Amlan K.
1
2023
Topological characterization of statistically clustered networks for molecular similarity analysis. Zbl 1512.05093
Gurunathan, Sambanthan; Yogalakshmi, Thangaraj; Balasubramanian, Krishnan
1
2023
Staying the course: iteratively locating equilibria of dynamical systems on Riemannian manifolds defined by point-clouds. Zbl 1515.37090
Bello-Rivas, Juan M.; Georgiou, Anastasia; Guckenheimer, John; Kevrekidis, Ioannis G.
1
2023
Quantum similarity and QSPR in Euclidean-, and Minkowskian-Banach spaces. Zbl 1521.81245
Carbó-Dorca, Ramon
1
2023
A new 2-level compact off-step implicit method in exponential form for the solution of fourth order nonlinear parabolic equations. Zbl 1512.65181
Mohanty, R. K.; Sharma, Divya
1
2023
Analytical solutions of the molecular Kratzer-Feus potential by means of the Nikiforov-Uvarov method. Zbl 1523.81213
Doma, S. B.; Gohar, A. A.; Younes, M. S.
1
2023
Qualitative analysis and Hopf bifurcation of a generalized Lengyel-Epstein model. Zbl 1506.35007
Chen, Mengxin; Wang, Tian
1
2023
On the efficient and accurate determinant evaluation of periodic tridiagonal Toeplitz matrices. Zbl 1522.15006
Jia, Ji-Teng; Wang, Fu-Rong
1
2023
On the information obtained using Shannon’s entropy through spin density. Zbl 1519.92364
Flores-Gallegos, N.
1
2023
The cut method on hypergraphs for the Wiener index. Zbl 1518.05043
Klavžar, Sandi; Romih, Gašper Domen
1
2023
Solving singular boundary value problems using higher-order compact finite difference schemes with a novel higher-order implementation of Robin boundary conditions. Zbl 1515.65200
Dlamini, Phumlani; Malele, James; Simelane, Simphiwe
1
2023
Graph derivative indices interpretation from the quantum mechanics perspective. Zbl 07724031
Vivas-Reyes, Ricardo; Martínez-Santiago, Oscar; Marrero-Ponce, Yovani
1
2023
Theoretical prediction for thermoelastic properties of carbon nanotubes (CNTs) at different pressure or compression using equation of states. Zbl 1532.74030
Srivastava, Shivam; Pandey, Anjani K.; Dixit, Chandra K.
1
2023
A high-order compact finite difference scheme and its analysis for the time-fractional diffusion equation. Zbl 07745943
Roul, Pradip; Prasad Goura, V. M. K.; Agarwal, Ravi
1
2023
Sombor index: review of extremal results and bounds. Zbl 1492.92156
Liu, Hechao; Gutman, Ivan; You, Lihua; Huang, Yufei
33
2022
Atom-bond sum-connectivity index. Zbl 1498.05065
Ali, Akbar; Furtula, Boris; Redžepović, Izudin; Gutman, Ivan
16
2022
A phase-fitting and first derivative phase-fitting singularly P-stable economical two-step method for problems in quantum chemistry. Zbl 1498.81141
Medvedev, Maxim A.; Simos, T. E.
13
2022
A phase-fitting, first, second and third derivatives phase-fitting singularly P-stable economical two-step method for problems in quantum chemistry. Zbl 1500.81029
Lin, Chia-Liang; Simos, T. E.
13
2022
A phase-fitting, first and second derivatives phase-fitting singularly P-stable economical two-step method for problems in chemistry. Zbl 1500.81031
Sun, Bin; Lin, Chia-Liang; Simos, T. E.
12
2022
A phase-fitting singularly P-stable cost-effective two-step method for solving chemistry problems. Zbl 1515.65194
Lin, Chia-Liang; Simos, T. E.
11
2022
Fractal equation of motion of a non-Gaussian polymer chain: investigating its dynamic fractal response using an ancient Chinese algorithm. Zbl 1487.81157
Elías-Zúñiga, Alex; Martínez-Romero, Oscar; Trejo, Daniel Olvera; Palacios-Pineda, Luis Manuel
9
2022
A singularly P-stable two-step method with improved characteristics for problems in chemistry. Zbl 1484.81032
Medvedeva, Marina A.; Simos, T. E.
6
2022
A quartic trigonometric B-spline collocation method for a general class of nonlinear singular boundary value problems. Zbl 1482.92129
Roul, Pradip; Kumari, Trishna
6
2022
Peripherality in networks: theory and applications. Zbl 1489.05022
Geneson, Jesse; Tsai, Shen-Fu
5
2022
Analysis of solutions of time-dependent Schrödinger equation of a particle trapped in a spherical box. Zbl 1496.81053
Nath, Debraj; Carbó-Dorca, Ramon
5
2022
In vitro proton magnetic resonance spectroscopy at 14T for benign and malignant ovary. I: Signal processing by the nonparametric fast Padé transform. Zbl 1486.92095
Belkić, Dževad; Belkić, Karen
5
2022
A two-step singularly P-Stable method with high phase and large stability properties for problems in chemistry. Zbl 1487.81083
Generalov, Dmitry; Tsvetova, Ekaterina; Fedorov, Ruslan; Kovalnogov, Vladislav; Simos, T. E.
5
2022
On the information balance in a simple chemical process. Zbl 1497.92369
Flores-Gallegos, N.
4
2022
Rényi’s divergence as a chemical similarity criterion. Zbl 1481.92189
Flores-Gallegos, N.
4
2022
Critical scaling of lattice polymers confined to a box without endpoint restriction. Zbl 1500.82003
Bradly, C. J.; Owczarek, A. L.
4
2022
In vitro proton magnetic resonance spectroscopy at 14T for benign and malignant ovary. II: Signal processing by the parametric fast Padé transform. Zbl 1497.92140
Belkić, Dževad; Belkić, Karen
4
2022
Complete forcing numbers of hexagonal systems. II. Zbl 1492.92152
He, Xin; Zhang, Heping
3
2022
An efficient numerical technique for solving nonlinear singularly perturbed reaction diffusion problem. Zbl 1502.65226
Khari, Kartikay; Kumar, Vivek
3
2022
An efficient operational matrix technique to solve the fractional order non-local boundary value problems. Zbl 1497.92373
Kumar, Saurabh; Gupta, Vikas; Gómez-Aguilar, J. F.
3
2022
A 1-separation formula for the graph Kemeny constant and Braess edges. Zbl 1481.05146
Faught, Nolan; Kempton, Mark; Knudson, Adam
3
2022
Shadows’ hypercube, vector spaces, and non-linear optimization of QSPR procedures. Zbl 1486.92335
Carbó-Dorca, Ramon
3
2022
A fast numerical scheme for solving singular boundary value problems arising in various physical models. Zbl 1492.65211
Roul, Pradip; Prasad Goura, V. M. K.
3
2022
Global dynamics of solutions for enzyme catalysed models with almost periodic oscillatory input. Zbl 1506.34064
Díaz-Marín, Homero G.; López-Hernández, Francisco J.; Osuna, Osvaldo
3
2022
A division-free algorithm for numerically evaluating the determinant of a specific quasi-tridiagonal matrix. Zbl 1503.65081
Jia, Ji-Teng; Wang, Jie; He, Qi; Yan, Yu-Cong
3
2022
Weakly reversible CF-decompositions of chemical kinetic systems. Zbl 1492.92164
Hernandez, Bryan S.; Mendoza, Eduardo R.
3
2022
Graph entropies, enumeration of circuits, walks and topological properties of three classes of isoreticular metal organic frameworks. Zbl 1492.92142
Abraham, Jessie; Arockiaraj, Micheal; Jency, Joseph; Kavitha, S. Ruth Julie; Balasubramanian, Krishnan
2
2022
Computation of atomic electronegativity values using atomic and covalent potential: a FSGO based study. Zbl 1500.81087
Saloni; Kumari, Dimple; Tandon, Hiteshi; Labarca, Martín; Chakraborty, Tanmoy
2
2022
An incomplete block-diagonalization approach for evaluating the determinants of bordered \(k\)-tridiagonal matrices. Zbl 1505.65176
Jia, Ji-Teng; Wang, Jie; Yuan, Ting-Feng; Zhang, Kai-Kai; Zhong, Bao-Ming
2
2022
Average energy and quantum similarity of a time dependent quantum system subject to Pöschl-Teller potential. Zbl 1487.81078
Carbó-Dorca, Ramon; Nath, Debraj
2
2022
The rotating harmonic oscillator revisited. Zbl 1487.81091
Fernández, Francisco M.
2
2022
Wavelet solution of a strongly nonlinear Lane-Emden equation. Zbl 1515.65342
Tiwari, Diksha; Verma, Amit K.; Cattani, Carlo
2
2022
Dendrimer eigen-characteristics. Zbl 1497.92366
Mandal, Bholanath; Klein, Douglas J.
2
2022
Study of uncertainty, average energy, and thermodynamic quantities of the time dependent quantum system. Zbl 1510.81063
Nath, Debraj
2
2022
A possible generalization Shannon’s entropy using \(q\)-calculus. Zbl 1510.81020
Flores-Gallegos, N.
2
2022
A multistep method with optimal phase and stability properties for problems in quantum chemistry. Zbl 1492.65193
Medvedeva, Marina A.; Simos, T. E.
1
2022
mad-GP: automatic differentiation of Gaussian processes for molecules and materials. Zbl 1491.92142
Huang, Daniel; Teng, Chong; Bao, Junwei Lucas; Tristan, Jean-Baptiste
1
2022
Persistence and stability of a class of kinetic compartmental models. Zbl 1491.92143
Szederkényi, Gábor; Ács, Bernadett; Lipták, György; Vághy, Mihály A.
1
2022
A multistep conditionally P-stable method with phase properties of high order for problems in quantum chemistry. Zbl 1496.81110
Lin, Chia-Liang; Simos, T. E.
1
2022
Three conjectures on extended twin primes and the existence of isoboolean and singular primes inspired by relativistic quantum computing. Zbl 1498.11021
Balasubramanian, Krishnan; Carbó-Dorca, Ramon
1
2022
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Cited by 7,569 Authors

208 Simos, Theodore E.
80 Carbó-Dorca, Ramon
77 Zhang, Heping
69 Gutman, Ivan M.
50 Belkić, Dževad
50 Das, Kinkar Chandra
47 Demiralp, Metin
39 Belkić, Karen
37 Roul, Pradip
37 Zhou, Bo
36 Ali, Akbar
36 Li, Shuchao
36 Liu, Jia-bao
36 Rada, Juan
34 Cordero, Alicia
34 Došlić, Tomislav
34 Nalewajski, Roman F.
34 Torregrosa Sanchez, Juan Ramón
33 Milovanović, Igor Ž.
32 Alolyan, Ibraheem
32 Milovanović, Emina I.
31 Deng, Hanyuan
31 Tsitouras, Charalampos
30 Farahani, Mohammad Reza
30 Ramos, Higinio
26 Chen, Lansun
26 Imran, Muhammad
26 Jia, Jiteng
26 Matejić, Marjan M.
25 Craciun, Gheorghe
25 Fujita, Shinsaku
25 Li, Xueliang
24 Argyros, Ioannis Konstantinos
24 Sigarreta Almira, José María
23 Ashrafi, Ali Reza
23 Balasubramanian, Krishnan
23 Vigo-Aguiar, Jesus
22 Du, Zhibin
22 Lin, Chialiang
22 Liu, Hechao
22 Macías-Díaz, Jorge Eduardo
22 Verma, Amit Kumar
22 Zhang, Tonghua
21 Din, Qamar
21 Fang, Yonglei
21 Guseinov, Israfil I.
21 Mendoza, Eduardo R.
21 Rodríguez García, José Manuel
21 Sever, Ramazan
21 You, Xiong
20 Furtula, Boris
20 Ikhdair, Sameer M.
20 Rabitz, Herschel A.
19 Behl, Ramandeep
19 Hua, Hongbo
19 Jiang, Daqing
19 Klavžar, Sandi
19 Medvedev, Maxim A.
19 Rosenfeld, Vladimir Raphael
19 Singh, Randhir
19 Zhang, Fuji
18 Fernández, Francisco Marcelo
18 Szederkényi, Gábor
18 Xu, Kexiang
17 Bersani, Alberto Maria
17 Bisi, Marzia
17 Ivanauskas, Feliksas. F.
17 Klein, Douglas J.
17 Kumar, Sunil
17 Liu, Muhuo
17 Mezey, Paul G.
17 Paternoster, Beatrice
17 Škrekovski, Riste
17 Wu, Tingzeng
16 Balachandran, Selvaraj
16 Chowdhury, Rajib
16 Dehmer, Matthias
16 Gao, Wei
16 Ghorbani, Modjtaba
16 Meng, Xinzhu
16 Spiga, Giampiero
16 Walcher, Sebastian
16 Yan, Weigen
15 Besalú, Emili
15 El-Dib, Yusry O.
15 Elumalai, Suresh
15 Groppi, Maria
15 Skakauskas, Vladas
15 Yuan, Sanling
14 Anastassi, Zacharias A.
14 Bairamov, Elgiz
14 Băleanu, Dumitru I.
14 Banaji, Murad
14 Cancan, Murat
14 Gubernov, Vladimir Vladimirovich
14 Jahanbani, Akbar
14 Palacios, Jose Luis
14 Siddiqui, Muhammad Kamran
14 Trinajstić, Nenad
13 Akhter, Shehnaz
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Cited in 576 Journals

1,533 Journal of Mathematical Chemistry
272 Applied Mathematics and Computation
252 Discrete Applied Mathematics
115 Mathematical Methods in the Applied Sciences
112 Journal of Computational and Applied Mathematics
94 Linear Algebra and its Applications
93 MATCH - Communications in Mathematical and in Computer Chemistry
80 Journal of Applied Mathematics and Computing
63 Computational and Applied Mathematics
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47 Computer Physics Communications
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44 Fractals
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43 Journal of Mathematical Physics
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41 Chaos, Solitons and Fractals
41 Applied Numerical Mathematics
38 Communications in Nonlinear Science and Numerical Simulation
36 Discrete Dynamics in Nature and Society
35 Numerical Algorithms
34 Journal of Discrete Mathematical Sciences & Cryptography
33 Journal of Mathematical Biology
33 Mathematical Problems in Engineering
32 Bulletin of Mathematical Biology
32 Applied Mathematical Modelling
32 Journal of Physics A: Mathematical and Theoretical
32 Iranian Journal of Mathematical Chemistry
31 Annals of Physics
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30 International Journal of Bifurcation and Chaos in Applied Sciences and Engineering
29 Mathematical Biosciences
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26 Advances in High Energy Physics
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22 Bulletin of the Malaysian Mathematical Sciences Society. Second Series
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18 Asian-European Journal of Mathematics
17 Modern Physics Letters A
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14 Proyecciones
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14 Communications in Combinatorics and Optimization
13 Physica D
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13 International Journal of Geometric Methods in Modern Physics
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Cited in 62 Fields

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18 Topological groups, Lie groups (22-XX)
17 Functions of a complex variable (30-XX)
16 Geophysics (86-XX)
13 General and overarching topics; collections (00-XX)
13 Mathematical logic and foundations (03-XX)
13 Order, lattices, ordered algebraic structures (06-XX)
12 General topology (54-XX)
11 Potential theory (31-XX)
11 Sequences, series, summability (40-XX)
8 History and biography (01-XX)
8 Algebraic topology (55-XX)
7 Field theory and polynomials (12-XX)
7 Mathematics education (97-XX)
6 Associative rings and algebras (16-XX)
6 Astronomy and astrophysics (85-XX)
4 Nonassociative rings and algebras (17-XX)
4 Several complex variables and analytic spaces (32-XX)
4 Abstract harmonic analysis (43-XX)
3 Category theory; homological algebra (18-XX)
1 \(K\)-theory (19-XX)

Citations by Year