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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: 3,057 Publications (since 1994)
References Indexed: 2,663 Publications with 92,008 References.
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Latest Issues

62, No. 5 (2024)
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...and 141 more Volumes
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Authors

162 Simos, Theodore E.
112 Carbó-Dorca, Ramon
51 Belkić, Dževad
41 Demiralp, Metin
39 Belkić, Karen
35 Nalewajski, Roman F.
33 Fujita, Shinsaku
33 Guseinov, Israfil I.
32 Mezey, Paul G.
31 Fernández, Francisco Marcelo
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.
22 Vigo-Aguiar, Jesus
22 Zhang, Heping
21 Castro, Eduardo A.
21 Klein, Douglas J.
21 March, Norman H.
21 Rosenfeld, Vladimir Raphael
20 Mamedov, Bahtiyar A.
20 Zhou, Bo
19 Arimoto, Shigeru
19 Lin, Chialiang
19 Sever, Ramazan
19 Trinajstić, Nenad
18 Fang, Yonglei
18 Marmorino, M. G.
18 Vukičević, Damir
17 Bucknum, Michael John
17 Diudea, Mircea V.
17 Došlić, Tomislav
17 Zhang, Fuji
16 Berberan-Santos, Mário N.
15 Cordero, Alicia
15 Magreñán, Ángel Alberto
15 Merkin, John H.
15 Torregrosa Sanchez, Juan Ramón
14 Baronas, Romas
14 Randić, Milan
14 Varon, Ramón
13 Jia, Jiteng
13 Roul, Pradip
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 Macías-Díaz, Jorge Eduardo
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 You, Xiong
9 Arribas, Enrique
9 Avery, John Scales
9 Bayón, Luis
9 Gubernov, Vladimir Vladimirovich
9 Li, Risong
9 Medvedeva, Marina A.
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 Wazwaz, Abdul-Majid Abdul-Rahman
8 Arteca, Gustavo A.
8 Banerjee, Kinshuk
8 Brinkmann, Gunnar
8 Chakraborty, Tanmoy
8 Chauvin, Remi
8 Cox, Barry James
8 Dehesa, Jesús S.
...and 3,165 more Authors
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Fields

1,719 Biology and other natural sciences (92-XX)
813 Quantum theory (81-XX)
533 Numerical analysis (65-XX)
439 Combinatorics (05-XX)
263 Ordinary differential equations (34-XX)
243 Partial differential equations (35-XX)
222 Statistical mechanics, structure of matter (82-XX)
127 Classical thermodynamics, heat transfer (80-XX)
122 Dynamical systems and ergodic theory (37-XX)
80 Statistics (62-XX)
73 Special functions (33-XX)
69 Linear and multilinear algebra; matrix theory (15-XX)
68 Probability theory and stochastic processes (60-XX)
68 Information and communication theory, circuits (94-XX)
48 Optics, electromagnetic theory (78-XX)
47 Group theory and generalizations (20-XX)
47 Fluid mechanics (76-XX)
46 Operator theory (47-XX)
45 Approximations and expansions (41-XX)
43 Mechanics of particles and systems (70-XX)
35 Convex and discrete geometry (52-XX)
34 Computer science (68-XX)
32 Calculus of variations and optimal control; optimization (49-XX)
30 Systems theory; control (93-XX)
26 Manifolds and cell complexes (57-XX)
26 Operations research, mathematical programming (90-XX)
25 General and overarching topics; collections (00-XX)
25 Harmonic analysis on Euclidean spaces (42-XX)
24 Mechanics of deformable solids (74-XX)
23 Number theory (11-XX)
20 Topological groups, Lie groups (22-XX)
20 Functional analysis (46-XX)
18 Real functions (26-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)
9 Differential geometry (53-XX)
8 Mathematical logic and foundations (03-XX)
8 Algebraic geometry (14-XX)
8 Functions of a complex variable (30-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 Measure and integration (28-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)
2 Several complex variables and analytic spaces (32-XX)
2 Abstract harmonic analysis (43-XX)
2 Algebraic topology (55-XX)
1 \(K\)-theory (19-XX)

Publications by Year

Citations contained in zbMATH Open

2,047 Publications have been cited 15,781 times in 6,031 Documents Cited by Year
A forgotten topological index. Zbl 1317.05031
Furtula, Boris; Gutman, Ivan
184
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
164
2009
On a novel connectivity index. Zbl 1197.92060
Zhou, Bo; Trinajstić, Nenad
142
2009
On general sum-connectivity index. Zbl 1195.92083
Zhou, Bo; Trinajstić, Nenad
141
2010
General foundations of high-dimensional model representations. Zbl 0957.93004
Rabitz, Herschel; Alış, Ömer F.
135
1999
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.
98
2015
A new Numerov-type method for the numerical solution of the Schrödinger equation. Zbl 1183.81060
Simos, T. E.
96
2009
A new two-step hybrid method for the numerical solution of the Schrödinger equation. Zbl 1200.81051
Konguetsof, A.
96
2010
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 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.
95
2016
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
Augmented Zagreb index. Zbl 1196.92050
Furtula, Boris; Graovac, Ante; Vukičević, Damir
92
2010
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
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.
91
2015
Two-step high order hybrid explicit method for the numerical solution of the Schrödinger equation. Zbl 1198.81092
Konguetsof, A.
87
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
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
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 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.
77
2015
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
An economical eighth-order method for the approximation of the solution of the Schrödinger equation. Zbl 1422.65115
Wang, Zhiwei; Simos, T. E.
76
2017
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
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
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 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
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
A finite difference pair with improved phase and stability properties. Zbl 1384.65050
Yan, Ke; Simos, T. E.
67
2018
An explicit four-step method with vanished phase-lag and its first and second derivatives. Zbl 1297.65084
Simos, T. E.
64
2014
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 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
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
Unicyclic graphs with minimal energy. Zbl 0977.05085
Hou, Yaoping
55
2001
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
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
A unification of chirality measures. Zbl 0865.92026
Weinberg, Noham; Mislow, Kurt
52
1995
Cyclical edge-connectivity of fullerene graphs and \((k,6)\)-cages. Zbl 1018.92036
Došlić, Tomislav
52
2003
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
51
2008
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
51
2014
A family of four-step trigonometrically-fitted methods and its application to the Schrödinger equation. Zbl 1217.65139
Simos, T. E.
51
2008
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
Kinetic approach to chemical reactions and inelastic transitions in a rarefied gas. Zbl 1048.92502
Groppi, M.; Spiga, G.
49
1999
Efficient implementation of high dimensional model representations. Zbl 1051.93502
Alis, Ömer F.; Rabitz, Herschel
49
2001
A second-order scheme for the “Brusselator” reaction-diffusion system. Zbl 1016.92049
Twizell, E. H.; Gumel, A. B.; Cao, Q.
48
2000
A hybrid method with phase-lag and derivatives equal to zero for the numerical integration of the Schrödinger equation. Zbl 1304.65170
Konguetsof, A.
48
2011
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
Some embedded modified Runge-Kutta methods for the numerical solution of some specific Schrödinger equations. Zbl 0915.65084
Simos, T. E.
47
1998
Exponential Fitting method for the time-dependent Schrödinger equation. Zbl 1198.81100
Rizea, M.
47
2010
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
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
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
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 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
A generator of families of two-step numerical methods with free parameters and minimal phase-lag. Zbl 1421.65017
Konguetsof, A.
45
2017
Bifurcation analysis of reaction-diffusion Schnakenberg model. Zbl 1320.92088
Liu, Ping; Shi, Junping; Wang, Yuwen; Feng, Xiuhong
43
2013
A three-stages multistep teeming in phase algorithm for computational problems in chemistry. Zbl 1417.81172
Medvedev, Maxim A.; Simos, T. E.
42
2019
Mostar index. Zbl 1406.92750
Došlić, Tomislav; Martinjak, Ivica; Škrekovski, Riste; Tipurić Spužević, Sanja; Zubac, Ivana
41
2018
An efficient and computational effective method for second order problems. Zbl 1422.65113
Ma, Jing; Simos, T. E.
41
2017
Monotone chemical reaction networks. Zbl 1117.80309
De Leenheer, Patrick; Angeli, David; Sontag, Eduardo D.
38
2007
Atoms of multistationarity in chemical reaction networks. Zbl 1352.92186
Joshi, Badal; Shiu, Anne
37
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.
37
2015
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
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
Bifurcation analysis and chaos control in discrete-time glycolysis models. Zbl 1384.92030
Din, Qamar
36
2018
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
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
Embedded eighth order methods for the numerical solution of the Schrödinger equation. Zbl 0954.65061
Avdelas, G.; Simos, T. E.
34
2000
Landscapes and their correlation functions. Zbl 1002.92547
Stadler, Peter F.
34
1996
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
On Harary index. Zbl 1217.05216
Zhou, Bo; Cai, Xiaochun; Trinajstić, Nenad
34
2008
Extremal values of the Sombor index in unicyclic and bicyclic graphs. Zbl 1462.05071
Cruz, Roberto; Rada, Juan
34
2021
A constructive approach to quasi-steady state reductions. Zbl 1331.92172
Goeke, Alexandra; Walcher, Sebastian
34
2014
On the convergence of Mickens’ type nonstandard finite difference schemes on Lane-Emden type equations. Zbl 1448.65121
Verma, Amit Kumar; Kayenat, Sheerin
34
2018
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
A family of \(P\)-stable exponentially-fitted methods for the numerical solution of the Schrödinger equation. Zbl 0954.65064
Simos, T. E.
33
1999
Terminal Wiener index. Zbl 1310.05075
Gutman, Ivan; Furtula, Boris; Petrović, Miroslav
33
2009
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.
33
2010
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
On lower bounds of number of perfect matchings in fullerene graphs. Zbl 0918.92025
Došlić, Tomislav
31
1998
Taylor series solution for Lane-Emden equation. Zbl 1429.34027
He, Ji-Huan; Ji, Fei-Yu
31
2019
The ABC matrix. Zbl 1380.92097
Estrada, Ernesto
31
2017
Global stability of complex balanced mechanisms. Zbl 1012.92046
Siegel, D.; MacLean, D.
30
2000
Symbolic derivation of Runge-Kutta-Nyström order conditions. Zbl 1185.65127
Tsitouras, Ch.; Famelis, I. Th.
30
2009
Improved energy formula for highly excited vibrational states of Kratzer-Fues oscillator. Zbl 07796543
Molski, Marcin
1
2024
Numerical solution of some stiff systems arising in chemistry via Taylor wavelet collocation method. Zbl 07796544
Manohara, G.; Kumbinarasaiah, S.
1
2024
Theoretical model for the prediction of lattice energy of diatomic metal halides. Zbl 07796554
Pandey, Anjani K.; Dixit, Chandra K.; Srivastava, Shivam
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.
6
2023
A close-up to the bond-breaking and bond-forming using information theory. Zbl 1521.81495
Flores-Gallegos, N.
4
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.
4
2023
Comparative analysis of carbon cycle models via kinetic representations. Zbl 1516.92136
Fortun, Noel T.; Mendoza, Eduardo R.
3
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.
3
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
On the modified generalized multidimensional KP equation in plasma physics and fluid dynamics in \((3+1)\) dimensions. Zbl 1505.35307
Sáez, S.
2
2023
An approach to local electron energy in atoms through Rényi’s entropy. Zbl 07673446
Flores-Gallegos, N.
2
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
2
2023
Positive equilibria of power law kinetics on networks with independent linkage classes. Zbl 1519.92365
Hernandez, Bryan S.; Mendoza, Eduardo R.
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
Some new results on energy of graphs with self loops. Zbl 1516.05131
Popat, Kalpesh M.; Shingala, Kunal R.
2
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.
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.
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
Various mechanisms for double capture from helium targets by alpha particles. Zbl 1532.81065
Belkić, Dževad
1
2023
Second-order convergent scheme for time-fractional partial differential equations with a delay in time. Zbl 07643849
Choudhary, Renu; Kumar, Devendra; Singh, Satpal
1
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
1
2023
Qualitative analysis and Hopf bifurcation of a generalized Lengyel-Epstein model. Zbl 1506.35007
Chen, Mengxin; Wang, Tian
1
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
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
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
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
Turing instability and pattern formation in a diffusive Sel’kov-Schnakenberg system. Zbl 1514.35444
Wang, Yong; Zhou, Xu; Jiang, Weihua; Qi, Liangping
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
A robust numerical technique for weakly coupled system of parabolic singularly perturbed reaction-diffusion equations. Zbl 07695650
Singh, Satpal; Kumar, Devendra; Vigo-Aguiar, J.
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
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
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
Accurate and efficient flux-corrected finite volume approximation for the fragmentation problem. Zbl 07724028
Paul, Jayanta; Ghosh, Debdulal; Kumar, Jitendra
1
2023
Graph derivative indices interpretation from the quantum mechanics perspective. Zbl 07724031
Vivas-Reyes, Ricardo; Martínez-Santiago, Oscar; Marrero-Ponce, Yovani
1
2023
Sombor index: review of extremal results and bounds. Zbl 1492.92156
Liu, Hechao; Gutman, Ivan; You, Lihua; Huang, Yufei
25
2022
Atom-bond sum-connectivity index. Zbl 1498.05065
Ali, Akbar; Furtula, Boris; Redžepović, Izudin; Gutman, Ivan
10
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 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.
9
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.
9
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.
8
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.
7
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
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
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
A quartic trigonometric B-spline collocation method for a general class of nonlinear singular boundary value problems. Zbl 1482.92129
Roul, Pradip; Kumari, Trishna
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
4
2022
Rényi’s divergence as a chemical similarity criterion. Zbl 1481.92189
Flores-Gallegos, N.
4
2022
On the information balance in a simple chemical process. Zbl 1497.92369
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
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
A 1-separation formula for the graph Kemeny constant and Braess edges. Zbl 1481.05146
Faught, Nolan; Kempton, Mark; Knudson, Adam
3
2022
An efficient numerical technique for solving nonlinear singularly perturbed reaction diffusion problem. Zbl 1502.65226
Khari, Kartikay; Kumar, Vivek
3
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
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
Weakly reversible CF-decompositions of chemical kinetic systems. Zbl 1492.92164
Hernandez, Bryan S.; Mendoza, Eduardo R.
2
2022
The rotating harmonic oscillator revisited. Zbl 1487.81091
Fernández, Francisco M.
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
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
Complete forcing numbers of hexagonal systems. II. Zbl 1492.92152
He, Xin; Zhang, Heping
2
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
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
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
1
2022
A phase-fitting singularly P-stable economical two-step method for problems in quantum chemistry. Zbl 1484.81033
Medvedev, Maxim A.; Simos, T. E.
1
2022
Long-term and short-term asymptotes of reaction rate constants in the presence of reactivity anisotropy. Zbl 1482.92128
Doktorov, Alexander B.
1
2022
The determination of point groups from imprecise molecular geometries. Zbl 1482.92127
Knowles, Peter J.
1
2022
Efficient implementation of advanced Richardson extrapolation in an atmospheric chemical scheme. Zbl 1481.92192
Zlatev, Zahari; Dimov, Ivan; Faragó, István; Georgiev, Krassimir; Havasi, Ágnes
1
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
1
2022
Dendrimer eigen-characteristics. Zbl 1497.92366
Mandal, Bholanath; Klein, Douglas J.
1
2022
Rod-packing arrangements of invariant tori in solenoidal vector fields with cubic symmetries. Zbl 1497.92367
Nishiyama, Takahiro
1
2022
CMMSE: analysis and comparison of some numerical methods to solve a nonlinear fractional Gross-Pitaevskii system. Zbl 1498.81147
Serna-Reyes, Adán; Macías-Díaz, Jorge E.; Gallegos, Armando; Reguera, Nuria
1
2022
Three-dimensional Haar wavelet method for singularly perturbed elliptic boundary value problems on non-uniform meshes. Zbl 1501.65051
Deswal, Komal; Kumar, Devendra; Vigo-Aguiar, J.
1
2022
Compact formulae for three-center nuclear attraction integrals over exponential type functions. Zbl 1498.81142
Slevinsky, Richard M.; Safouhi, Hassan
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
A novel approach for solving nonlinear singular boundary value problems arising in various physical models. Zbl 1503.65145
Roul, Pradip
1
2022
Computational properties of the arithmetic-geometric index. Zbl 1498.92326
Carballosa, Walter; Granados, Ana; Méndez Bermúdez, José Antonio; Pestana, Domingo; Portilla, Ana
1
2022
Spline-based parameter-uniform scheme for fourth-order singularly perturbed differential equations. Zbl 1502.65046
Singh, Satpal; Kumar, Devendra
1
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
1
2022
A two-step method singularly P-Stable with improved properties for problems in quantum chemistry. Zbl 1487.81087
Medvedeva, Marina A.; Simos, T. E.
1
2022
Determination of unknown molecular properties in molecular spaces. Zbl 1530.92329
Carbó-Dorca, Ramon
1
2022
Atomic electronegativity based on hardness and floating spherical Gaussian orbital approach. Zbl 1487.81156
Kumari, Varsha; Singh, Tanupriya; Devi, Saroj; Tandon, Hiteshi; Labarca, Martín; Chakraborty, Tanmoy
1
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
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
Analytical enclosure of the set of solutions of the three-species multivariate curve resolution problem. Zbl 1496.92136
Andersons, Tomass; Sawall, Mathias; Neymeyr, Klaus
1
2022
Extremal values of the Sombor index in unicyclic and bicyclic graphs. Zbl 1462.05071
Cruz, Roberto; Rada, Juan
34
2021
Homotopy perturbation method with three expansions. Zbl 1495.34028
He, Ji-Huan; El-Dib, Yusry O.
19
2021
A gecko-like fractal receptor of a three-dimensional printing technology: a fractal oscillator. Zbl 1466.92309
Zuo, Yuting
17
2021
He-Laplace variational iteration method for solving the nonlinear equations arising in chemical kinetics and population dynamics. Zbl 1472.35009
Nadeem, Muhammad; He, Ji-Huan
12
2021
Derivative NMR spectroscopy for J-coupled multiplet resonances using short time signals (0.5 KB) encoded at low magnetic field strengths (1.5T). I: Water suppressed. Zbl 07346601
Belkić, Dževad; Belkić, Karen
9
2021
In vivo derivative NMR spectroscopy for simultaneous improvements of resolution and signal-to-noise-ratio: case study, glioma. Zbl 1476.81164
Belkić, Dževad; Belkić, Karen
8
2021
Numerical solution of system of Emden-Fowler type equations by Bernstein collocation method. Zbl 1471.65090
Shahni, Julee; Singh, Randhir
8
2021
Positive equilibria of Hill-type kinetic systems. Zbl 1466.92303
Hernandez, Bryan S.; Mendoza, Eduardo R.
8
2021
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Cited by 7,289 Authors

204 Simos, Theodore E.
80 Carbó-Dorca, Ramon
76 Zhang, Heping
68 Gutman, Ivan M.
47 Belkić, Dževad
47 Demiralp, Metin
43 Das, Kinkar Chandra
37 Belkić, Karen
37 Zhou, Bo
36 Li, Shuchao
36 Liu, Jia-bao
36 Rada, Juan
35 Roul, Pradip
34 Cordero, Alicia
34 Nalewajski, Roman F.
34 Torregrosa Sanchez, Juan Ramón
33 Ali, Akbar
33 Milovanović, Igor Ž.
32 Alolyan, Ibraheem
32 Milovanović, Emina I.
31 Došlić, Tomislav
31 Tsitouras, Charalampos
30 Deng, Hanyuan
30 Farahani, Mohammad Reza
26 Chen, Lansun
26 Imran, Muhammad
26 Matejić, Marjan M.
26 Ramos, Higinio
25 Craciun, Gheorghe
25 Fujita, Shinsaku
25 Jia, Jiteng
24 Li, Xueliang
24 Sigarreta Almira, José María
23 Ashrafi, Ali Reza
23 Balasubramanian, Krishnan
23 Vigo-Aguiar, Jesus
22 Argyros, Ioannis Konstantinos
22 Du, Zhibin
22 Zhang, Tonghua
21 Fang, Yonglei
21 Guseinov, Israfil I.
21 Rodríguez García, José Manuel
21 Sever, Ramazan
21 You, Xiong
20 Din, Qamar
20 Ikhdair, Sameer M.
20 Lin, Chialiang
20 Liu, Hechao
20 Rabitz, Herschel A.
19 Behl, Ramandeep
19 Hua, Hongbo
19 Jiang, Daqing
19 Klavžar, Sandi
19 Medvedev, Maxim A.
19 Mendoza, Eduardo R.
19 Rosenfeld, Vladimir Raphael
19 Verma, Amit Kumar
19 Zhang, Fuji
18 Fernández, Francisco Marcelo
18 Furtula, Boris
18 Singh, Randhir
18 Szederkényi, Gábor
17 Bersani, Alberto Maria
17 Ivanauskas, Feliksas. F.
17 Mezey, Paul G.
17 Paternoster, Beatrice
17 Škrekovski, Riste
17 Wu, Tingzeng
17 Xu, Kexiang
16 Chowdhury, Rajib
16 Dehmer, Matthias
16 Gao, Wei
16 Klein, Douglas J.
16 Kumar, Sunil
16 Liu, Muhuo
16 Macías-Díaz, Jorge Eduardo
16 Meng, Xinzhu
16 Spiga, Giampiero
16 Walcher, Sebastian
15 Besalú, Emili
15 Bisi, Marzia
15 El-Dib, Yusry O.
15 Ghorbani, Modjtaba
15 Skakauskas, Vladas
15 Yan, Weigen
15 Yuan, Sanling
14 Anastassi, Zacharias A.
14 Băleanu, Dumitru I.
14 Banaji, Murad
14 Cancan, Murat
14 Gubernov, Vladimir Vladimirovich
14 Jahanbani, Akbar
14 Siddiqui, Muhammad Kamran
14 Trinajstić, Nenad
13 Akhter, Shehnaz
13 Bairamov, Elgiz
13 Balachandran, Selvaraj
13 Cruz, Roberto
13 D’Ambrosio, Raffaele
13 Diudea, Mircea V.
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Cited in 564 Journals

1,510 Journal of Mathematical Chemistry
270 Applied Mathematics and Computation
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109 Mathematical Methods in the Applied Sciences
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65 MATCH - Communications in Mathematical and in Computer Chemistry
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35 Discrete Dynamics in Nature and Society
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33 Mathematical Problems in Engineering
32 Journal of Mathematical Biology
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31 Bulletin of Mathematical Biology
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13 Acta Applicandae Mathematicae
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8 History and biography (01-XX)
8 Algebraic topology (55-XX)
6 Field theory and polynomials (12-XX)
6 Astronomy and astrophysics (85-XX)
6 Mathematics education (97-XX)
5 Associative rings and algebras (16-XX)
4 Abstract harmonic analysis (43-XX)
3 Nonassociative rings and algebras (17-XX)
3 Category theory; homological algebra (18-XX)
3 Several complex variables and analytic spaces (32-XX)
1 \(K\)-theory (19-XX)

Citations by Year