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: 2,984 Publications (since 1994) References Indexed: 2,592 Publications with 88,904 References. all top 5 Latest Issues 61, No. 8 (2023) 61, No. 7 (2023) 61, No. 6 (2023) 61, No. 5 (2023) 61, No. 4 (2023) 61, No. 3 (2023) 61, No. 2 (2023) 61, No. 1 (2023) 60, No. 10 (2022) 60, No. 9 (2022) 60, No. 8 (2022) 60, No. 7 (2022) 60, No. 6 (2022) 60, No. 5 (2022) 60, No. 4 (2022) 60, No. 3 (2022) 60, No. 2 (2022) 60, No. 1 (2022) 59, No. 10 (2021) 59, No. 9 (2021) 59, No. 8 (2021) 59, No. 7 (2021) 59, No. 6 (2021) 59, No. 5 (2021) 59, No. 4 (2021) 59, No. 3 (2021) 59, No. 2 (2021) 59, No. 1 (2021) 58, No. 10 (2020) 58, No. 9 (2020) 58, No. 8 (2020) 58, No. 7 (2020) 58, No. 6 (2020) 58, No. 5 (2020) 58, No. 4 (2020) 58, No. 3 (2020) 58, No. 2 (2020) 58, No. 1 (2020) 57, No. 10 (2019) 57, No. 9 (2019) 57, No. 8 (2019) 57, No. 7 (2019) 57, No. 6 (2019) 57, No. 5 (2019) 57, No. 4 (2019) 57, No. 3 (2019) 57, No. 2 (2019) 57, No. 1 (2019) 56, No. 10 (2018) 56, No. 9 (2018) 56, No. 8 (2018) 56, No. 7 (2018) 56, No. 6 (2018) 56, No. 5 (2018) 56, No. 4 (2018) 56, No. 3 (2018) 56, No. 2 (2018) 56, No. 1 (2018) 55, No. 10 (2017) 55, No. 9 (2017) 55, No. 8 (2017) 55, No. 7 (2017) 55, No. 6 (2017) 55, No. 5 (2017) 55, No. 4 (2017) 55, No. 3 (2017) 55, No. 2 (2017) 55, No. 1 (2017) 54, No. 10 (2016) 54, No. 9 (2016) 54, No. 8 (2016) 54, No. 7 (2016) 54, No. 6 (2016) 54, No. 5 (2016) 54, No. 4 (2016) 54, No. 3 (2016) 54, No. 2 (2016) 54, No. 1 (2016) 53, No. 10 (2015) 53, No. 9 (2015) 53, No. 8 (2015) 53, No. 7 (2015) 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) 52, No. 9 (2014) 52, No. 8 (2014) 52, No. 7 (2014) 52, No. 6 (2014) 52, No. 5 (2014) 52, No. 4 (2014) 52, No. 3 (2014) 52, No. 2 (2014) 52, No. 1 (2014) 51, No. 10 (2013) 51, No. 9 (2013) ...and 134 more Volumes all top 5 Authors 159 Simos, Theodore E. 111 Carbó-Dorca, Ramon 47 Belkić, Dževad 41 Demiralp, Metin 37 Belkić, Karen 35 Nalewajski, Roman F. 33 Fujita, Shinsaku 33 Guseinov, I. I. 32 Mezey, Paul G. 30 Besalú, Emili 29 Fernández, Francisco Marcelo 29 Gutman, Ivan M. 28 Alolyan, Ibraheem 28 Ivanauskas, Feliksas. F. 27 Balasubramanian, Krishnan 26 Lim, Teik-Cheng 25 Rabitz, Herschel A. 21 Castro, Eduardo A. 21 Klein, Douglas J. 21 March, Norman H. 21 Rosenfeld, Vladimir Raphael 21 Vigo-Aguiar, Jesus 21 Zhang, Heping 20 Mamedov, Bahtiyar A. 20 Zhou, Bo 19 Arimoto, Shigeru 19 Sever, Ramazan 19 Trinajstić, Nenad 18 Lin, Chialiang 18 Marmorino, M. G. 18 Vukičević, Damir 17 Bucknum, Michael John 17 Diudea, Mircea V. 17 Fang, Yonglei 17 Zhang, Fuji 16 Berberan-Santos, Mário N. 16 Došlić, Tomislav 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 Macías-Díaz, Jorge Eduardo 12 Chen, Lansun 12 Garcia-Moreno, Manuela 12 Hill, James Murray 12 Medvedev, Maxim A. 12 Strekalov, Mikhail L. 11 Argyros, Ioannis Konstantinos 11 Ayers, Paul W. 11 Baowan, Duangkamon 11 Cassam-Chenaï, Patrick 11 Deng, Hanyuan 11 Li, Genyuan 11 Pogliani, Lionello 11 Ramos, Higinio 11 Roul, Pradip 11 Sidhu, Harvinder Singh 11 Sigarreta Almira, José María 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 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 Flores-Gallegos, Nelson 9 Gubernov, Vladimir Vladimirovich 9 Li, Risong 9 Paldus, Josef 9 Rodríguez García, José Manuel 9 Shang, Zhenfeng 9 Sicilia, Juan Antonio 9 Singh, Randhir 9 Suárez, Pedro Maria 9 Szederkényi, Gábor 9 Temme, F. P. 8 Banerjee, Kinshuk 8 Brinkmann, Gunnar 8 Chauvin, Remi 8 Cox, Barry James 8 Dehesa, Jesús S. 8 Hasanoǧlu, Alemdar 8 Huang, Xuncheng 8 Leszczynski, Jerzy ...and 3,080 more Authors all top 5 Fields 1,683 Biology and other natural sciences (92-XX) 793 Quantum theory (81-XX) 509 Numerical analysis (65-XX) 430 Combinatorics (05-XX) 252 Ordinary differential equations (34-XX) 228 Partial differential equations (35-XX) 216 Statistical mechanics, structure of matter (82-XX) 121 Classical thermodynamics, heat transfer (80-XX) 120 Dynamical systems and ergodic theory (37-XX) 78 Statistics (62-XX) 73 Special functions (33-XX) 69 Linear and multilinear algebra; matrix theory (15-XX) 65 Probability theory and stochastic processes (60-XX) 62 Information and communication theory, circuits (94-XX) 46 Group theory and generalizations (20-XX) 45 Fluid mechanics (76-XX) 44 Approximations and expansions (41-XX) 44 Optics, electromagnetic theory (78-XX) 42 Operator theory (47-XX) 36 Mechanics of particles and systems (70-XX) 35 Convex and discrete geometry (52-XX) 33 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) 24 Harmonic analysis on Euclidean spaces (42-XX) 23 General and overarching topics; collections (00-XX) 22 Operations research, mathematical programming (90-XX) 21 Number theory (11-XX) 21 Mechanics of deformable solids (74-XX) 20 Functional analysis (46-XX) 19 Topological groups, Lie groups (22-XX) 17 Integral transforms, operational calculus (44-XX) 16 Real functions (26-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) 8 Mathematical logic and foundations (03-XX) 8 Functions of a complex variable (30-XX) 8 Sequences, series, summability (40-XX) 8 Differential geometry (53-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 Algebraic geometry (14-XX) 6 Associative rings and algebras (16-XX) 6 Game theory, economics, finance, and other social and behavioral sciences (91-XX) 5 Nonassociative rings and algebras (17-XX) 5 Potential theory (31-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 all cited Publications top 5 cited Publications Citations contained in zbMATH Open 1,915 Publications have been cited 14,442 times in 5,300 Documents Cited by ▼ Year ▼ A forgotten topological index. Zbl 1317.05031Furtula, Boris; Gutman, Ivan 154 2015 Topological index based on the ratios of geometrical and arithmetical means of end-vertex degrees of edges. Zbl 1200.92054Vukičević, Damir; Furtula, Boris 149 2009 General foundations of high-dimensional model representations. Zbl 0957.93004Rabitz, Herschel; Alış, Ömer F. 126 1999 On a novel connectivity index. Zbl 1197.92060Zhou, Bo; Trinajstić, Nenad 125 2009 On general sum-connectivity index. Zbl 1195.92083Zhou, Bo; Trinajstić, Nenad 122 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 1318.65039Mu, Kenan; Simos, T. E. 95 2015 A new Numerov-type method for the numerical solution of the Schrödinger equation. Zbl 1183.81060Simos, T. E. 95 2009 A family of two-stage two-step methods for the numerical integration of the Schrödinger equation and related IVPs with oscillating solution. Zbl 1198.81075Anastassi, Z. A.; Simos, T. E. 94 2009 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 1349.65222Zhou, Zhou; Simos, T. E. 92 2016 A modified phase-fitted Runge-Kutta method for the numerical solution of the Schrödinger equation. Zbl 1003.65082Simos, T. E.; Aguiar, Jesus Vigo 92 2001 A new two-step hybrid method for the numerical solution of the Schrödinger equation. Zbl 1200.81051Konguetsof, A. 92 2010 Symmetric eighth algebraic order methods with minimal phase-lag for the numerical solution of the Schrödinger equation. Zbl 1002.65078Simos, T. E.; Vigo-Aguiar, Jesus 91 2002 Trigonometrically fitted Runge-Kutta methods for the numerical solution of the Schrödinger equation. Zbl 1070.81035Anastassi, Z. A.; Simos, T. E. 89 2005 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 1329.65142Hui, Fei; Simos, T. E. 88 2015 Two optimized symmetric eight-step implicit methods for initial-value problems with oscillating solutions. Zbl 1198.81099Panopoulos, G. A.; Anastassi, Z. A.; Simos, T. E. 86 2009 Augmented Zagreb index. Zbl 1196.92050Furtula, Boris; Graovac, Ante; Vukičević, Damir 85 2010 Family of twelve steps exponential fitting symmetric multistep methods for the numerical solution of the Schrödinger equation. Zbl 1014.81055Vigo-Aguiar, J.; Simos, T. E. 84 2002 Two-step high order hybrid explicit method for the numerical solution of the Schrödinger equation. Zbl 1198.81092Konguetsof, A. 82 2010 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 1002.65077Kalogiratou, Z.; Simos, T. E. 80 2002 A family of multiderivative methods for the numerical solution of the Schrödinger equation. Zbl 1070.81045Sakas, D. P.; Simos, T. E. 76 2005 High order closed Newton-Cotes exponentially and trigonometrically fitted formulae as multilayer symplectic integrators and their application to the radial Schrödinger equation. Zbl 1403.81016Simos, T. E. 76 2012 Exponentially-fitted multiderivative methods for the numerical solution of the Schrödinger equation. Zbl 1050.65074Simos, T. E. 75 2004 A family of exponentially-fitted Runge-Kutta methods with exponential order up to three for the numerical solution of the Schrödinger equation. Zbl 1125.81017Anastassi, Z. A.; Simos, T. E. 74 2007 A new explicit Bessel and Neumann fitted eighth algebraic order method for the numerical solution of the Schrödinger equation. Zbl 1014.81012Simos, T. E. 74 2000 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 1331.65098Ning, Hang; Simos, T. E. 74 2015 Symplectic methods for the numerical solution of the radial Schrödinger equation. Zbl 1029.65134Tselios, Kostas; Simos, T. E. 74 2003 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 1022.81009Avdelas, 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 1078.65061Avdelas, 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 1029.65079Simos, T. E. 72 2003 An economical eighth-order method for the approximation of the solution of the Schrödinger equation. Zbl 1422.65115Wang, Zhiwei; Simos, T. E. 72 2017 Exponentially fitted symplectic methods for the numerical integration of the Schrödinger equation. Zbl 1073.65071Monovasilis, Th.; Kalogiratou, Z.; Simos, T. E. 71 2005 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 1022.81008Avdelas, 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 1270.81083Simos, T. E. 71 2013 Sixth algebraic order trigonometrically fitted predictor-corrector methods for the numerical solution of the radial Schrödinger equation. Zbl 1070.81044Psihoyios, G.; Simos, T. E. 70 2005 Trigonometrically fitted and exponentially fitted symplectic methods for the numerical integration of the Schrödinger equation. Zbl 1125.81021Monovasilis, 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 1044.81031Tselios, Kostas; Simos, T. E. 68 2004 An explicit four-step method with vanished phase-lag and its first and second derivatives. Zbl 1297.65084Simos, 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 1300.65050Alolyan, 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 1125.81022Psihoyios, 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 1132.81344Monovasilis, Th.; Simos, T. E. 62 2007 A finite difference pair with improved phase and stability properties. Zbl 1384.65050Yan, Ke; Simos, T. E. 62 2018 A four-step exponentially fitted method for the numerical solution of the Schrödinger equation. Zbl 1125.81023Simos, 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 1307.65106Alolyan, 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 1200.81052Kosti, 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 1301.65068Alolyan, 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 1325.65099Alolyan, Ibraheem; Simos, T. E. 55 2015 Closed Newton-Cotes trigonometrically-fitted formulae of high order for the numerical integration of the Schrödinger equation. Zbl 1217.65054Simos, T. E. 54 2008 Unicyclic graphs with minimal energy. Zbl 0977.05085Hou, Yaoping 53 2001 A new explicit hybrid four-step method with vanished phase-lag and its derivatives. Zbl 1297.65085Simos, T. E. 52 2014 A unification of chirality measures. Zbl 0865.92026Weinberg, Noham; Mislow, Kurt 52 1995 A family of four-step trigonometrically-fitted methods and its application to the Schrödinger equation. Zbl 1217.65139Simos, 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 1345.65048Liang, Minjian; Simos, T. E. 50 2016 Cyclical edge-connectivity of fullerene graphs and \((k,6)\)-cages. Zbl 1018.92036Došlić, Tomislav 50 2003 Efficient implementation of high dimensional model representations. Zbl 1051.93502Alis, Ömer F.; Rabitz, Herschel 49 2001 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 1325.65100Alolyan, Ibraheem; Simos, T. E. 48 2015 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 1318.65042Alolyan, Ibraheem; Simos, T. E. 47 2015 Solving coupled Lane-Emden boundary value problems in catalytic diffusion reactions by the Adomian decomposition method. Zbl 1311.92222Rach, Randolph; Duan, Jun-Sheng; Wazwaz, Abdul-Majid 47 2014 Some embedded modified Runge-Kutta methods for the numerical solution of some specific Schrödinger equations. Zbl 0915.65084Simos, 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 1331.65093Alolyan, 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 1304.65177Simos, T. E. 46 2011 Identifiability of chemical reaction networks. Zbl 1145.92040Craciun, Gheorghe; Pantea, Casian 45 2008 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 1312.65117Panopoulos, G. A.; Simos, T. E. 45 2013 A hybrid method with phase-lag and derivatives equal to zero for the numerical integration of the Schrödinger equation. Zbl 1304.65170Konguetsof, A. 45 2011 A second-order scheme for the “Brusselator” reaction-diffusion system. Zbl 1016.92049Twizell, E. H.; Gumel, A. B.; Cao, Q. 44 2000 Dynamic analysis of Michaelis-Menten chemostat-type competition models with time delay and pulse in a polluted environment. Zbl 1194.92075Meng, Xinzhu; Li, Zhenqing; Nieto, Juan J. 44 2010 Exponential Fitting method for the time-dependent Schrödinger equation. Zbl 1198.81100Rizea, M. 44 2010 A generator of families of two-step numerical methods with free parameters and minimal phase-lag. Zbl 1421.65017Konguetsof, A. 41 2017 Kinetic approach to chemical reactions and inelastic transitions in a rarefied gas. Zbl 1048.92502Groppi, M.; Spiga, G. 40 1999 A three-stages multistep teeming in phase algorithm for computational problems in chemistry. Zbl 1417.81172Medvedev, Maxim A.; Simos, T. E. 40 2019 An efficient and computational effective method for second order problems. Zbl 1422.65113Ma, Jing; Simos, T. E. 38 2017 Bifurcation analysis of reaction-diffusion Schnakenberg model. Zbl 1320.92088Liu, Ping; Shi, Junping; Wang, Yuwen; Feng, Xiuhong 36 2013 Monotone chemical reaction networks. Zbl 1117.80309De Leenheer, Patrick; Angeli, David; Sontag, Eduardo D. 36 2007 A family of P-stable eighth algebraic order methods with exponential fitting facilities. Zbl 0995.81506Aguiar, J. V.; Simos, T. E. 35 2001 The Estrada index of chemical trees. Zbl 1309.92085Ilić, Aleksandar; Stevanović, Dragan 35 2010 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 1360.65193Xi, Xiaopeng; Simos, T. E. 35 2016 Embedded eighth order methods for the numerical solution of the Schrödinger equation. Zbl 0954.65061Avdelas, G.; Simos, T. E. 34 2000 On resistance-distance and Kirchhoff index. Zbl 1187.92092Zhou, Bo; Trinajstić, Nenad 34 2009 High algebraic order methods with vanished phase-lag and its first derivative for the numerical solution of the Schrödinger equation. Zbl 1202.81027Alolyan, Ibraheem; Simos, T. E. 34 2010 Atoms of multistationarity in chemical reaction networks. Zbl 1352.92186Joshi, Badal; Shiu, Anne 34 2013 A family of \(P\)-stable exponentially-fitted methods for the numerical solution of the Schrödinger equation. Zbl 0954.65064Simos, T. E. 33 1999 Eighth order methods with minimal phase-lag for accurate computations for the elastic scattering phase-shift problem. Zbl 0900.81031Simos, T. E. 33 1997 On Harary index. Zbl 1217.05216Zhou, Bo; Cai, Xiaochun; Trinajstić, Nenad 33 2008 Mostar index. Zbl 1406.92750Došlić, Tomislav; Martinjak, Ivica; Škrekovski, Riste; Tipurić Spužević, Sanja; Zubac, Ivana 33 2018 Bounds for the Kirchhoff index via majorization techniques. Zbl 1327.05066Bianchi, Monica; Cornaro, Alessandra; Palacios, José Luis; Torriero, Anna 33 2013 Terminal Wiener index. Zbl 1310.05075Gutman, Ivan; Furtula, Boris; Petrović, Miroslav 32 2009 Landscapes and their correlation functions. Zbl 1002.92547Stadler, Peter F. 32 1996 High dimensional model representations generated from low dimensional data samples. I: mp-cut-HDMR. Zbl 1023.81521Li, Genyuan; Wang, Sheng-Wei; Rosenthal, Carey; Rabitz, Herschel 32 2001 Dynamic behaviors of Monod type chemostat model with impulsive perturbation on the nutrient concentration. Zbl 1217.34125Sun, Shulin; Chen, Lansun 32 2007 Minimum general sum-connectivity index of unicyclic graphs. Zbl 1293.05048Du, Zhibin; Zhou, Bo; Trinajstić, Nenad 32 2010 On lower bounds of number of perfect matchings in fullerene graphs. Zbl 0918.92025Došlić, Tomislav 30 1998 Mulitstep methods with vanished phase-lag and its first and second derivatives for the numerical integration of the Schrödinger equation. Zbl 1202.81028Alolyan, Ibraheem; Simos, T. E. 30 2010 Global stability of complex balanced mechanisms. Zbl 1012.92046Siegel, D.; MacLean, D. 29 2000 Bifurcation analysis and chaos control in discrete-time glycolysis models. Zbl 1384.92030Din, Qamar 29 2018 Numerical solution of the two-dimensional time independent Schrödinger equation with Numerov-type methods. Zbl 1077.65110Kalogiratou, Z.; Monovasilis, Th.; Simos, T. E. 28 2005 New lower bound on the number of perfect matchings in fullerene graphs. Zbl 1003.92039Zhang, Heping; Zhang, Fuji 28 2002 A new four-step hybrid type method with vanished phase-lag and its first derivatives for each level for the approximate integration of the Schrödinger equation. Zbl 1314.65099Alolyan, Ibraheem; Simos, T. E. 28 2013 New upper bounds on Zagreb indices. Zbl 1200.92048Das, Kinkar Ch.; Gutman, Ivan; Zhou, Bo 28 2009 Computing sparse and dense realizations of reaction kinetic systems. Zbl 1198.92052Szederkényi, Gábor 28 2010 A constructive approach to quasi-steady state reductions. Zbl 1331.92172Goeke, Alexandra; Walcher, Sebastian 28 2014 Sharp bounds for the second Zagreb index of unicyclic graphs. Zbl 1127.92056Yan, Zheng; Liu, Huiqing; Liu, Heguo 28 2007 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 1512.65141Sun, Bin; Lin, Chia-Liang; Simos, T. E. 3 2023 Quantum similarity index and Rényi complexity ratio of Kratzer type potential and compared with that of inverse square and Coulomb type potentials. Zbl 07673458Nath, Debraj; Carbó-Dorca, Ramon 1 2023 Quantum similarity and QSPR in Euclidean-, and Minkowskian-Banach spaces. Zbl 07673474Carbó-Dorca, Ramon 1 2023 A robust numerical technique for weakly coupled system of parabolic singularly perturbed reaction-diffusion equations. Zbl 07695650Singh, Satpal; Kumar, Devendra; Vigo-Aguiar, J. 1 2023 On the modified generalized multidimensional KP equation in plasma physics and fluid dynamics in \((3+1)\) dimensions. Zbl 1505.35307Sáez, S. 1 2023 Highly efficient, singularly P-stable, and low-cost phase-fitting two-step method of 14th order for problems in chemistry. Zbl 1515.65196Lin, Chia-Liang; Simos, T. E. 1 2023 Fractal equation of motion of a non-Gaussian polymer chain: investigating its dynamic fractal response using an ancient Chinese algorithm. Zbl 1487.81157Elías-Zúñiga, Alex; Martínez-Romero, Oscar; Trejo, Daniel Olvera; Palacios-Pineda, Luis Manuel 9 2022 Sombor index: review of extremal results and bounds. Zbl 1492.92156Liu, Hechao; Gutman, Ivan; You, Lihua; Huang, Yufei 7 2022 A phase-fitting and first derivative phase-fitting singularly P-stable economical two-step method for problems in quantum chemistry. Zbl 1498.81141Medvedev, Maxim A.; Simos, T. E. 6 2022 A singularly P-stable two-step method with improved characteristics for problems in chemistry. Zbl 1484.81032Medvedeva, Marina A.; Simos, T. E. 6 2022 A two-step singularly P-Stable method with high phase and large stability properties for problems in chemistry. Zbl 1487.81083Generalov, Dmitry; Tsvetova, Ekaterina; Fedorov, Ruslan; Kovalnogov, Vladislav; Simos, T. E. 5 2022 A phase-fitting, first and second derivatives phase-fitting singularly P-stable economical two-step method for problems in chemistry. Zbl 1500.81031Sun, Bin; Lin, Chia-Liang; Simos, T. E. 4 2022 A phase-fitting, first, second and third derivatives phase-fitting singularly P-stable economical two-step method for problems in quantum chemistry. Zbl 1500.81029Lin, Chia-Liang; Simos, T. E. 4 2022 A phase-fitting singularly P-stable cost-effective two-step method for solving chemistry problems. Zbl 1515.65194Lin, Chia-Liang; Simos, T. E. 4 2022 Shadows’ hypercube, vector spaces, and non-linear optimization of QSPR procedures. Zbl 1486.92335Carbó-Dorca, Ramon 3 2022 Analysis of solutions of time-dependent Schrödinger equation of a particle trapped in a spherical box. Zbl 1496.81053Nath, Debraj; Carbó-Dorca, Ramon 2 2022 Weakly reversible CF-decompositions of chemical kinetic systems. Zbl 1492.92164Hernandez, Bryan S.; Mendoza, Eduardo R. 2 2022 A division-free algorithm for numerically evaluating the determinant of a specific quasi-tridiagonal matrix. Zbl 1503.65081Jia, Ji-Teng; Wang, Jie; He, Qi; Yan, Yu-Cong 2 2022 A 1-separation formula for the graph Kemeny constant and Braess edges. Zbl 1481.05146Faught, Nolan; Kempton, Mark; Knudson, Adam 2 2022 A quartic trigonometric B-spline collocation method for a general class of nonlinear singular boundary value problems. Zbl 1482.92129Roul, Pradip; Kumari, Trishna 2 2022 In vitro proton magnetic resonance spectroscopy at 14T for benign and malignant ovary. I: Signal processing by the nonparametric fast Padé transform. 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Zbl 1470.34050He, Ji-Huan; El-Dib, Yusry O. 20 2020 ...and 1178 more Documents all cited Publications top 5 cited Publications all top 5 Cited by 6,470 Authors 184 Simos, Theodore E. 78 Carbó-Dorca, Ramon 73 Zhang, Heping 60 Gutman, Ivan M. 46 Demiralp, Metin 43 Belkić, Dževad 41 Das, Kinkar Chandra 36 Li, Shuchao 36 Liu, Jia-bao 35 Belkić, Karen 35 Rada, Juan 34 Nalewajski, Roman F. 33 Zhou, Bo 30 Alolyan, Ibraheem 30 Cordero, Alicia 30 Farahani, Mohammad Reza 30 Torregrosa Sanchez, Juan Ramón 29 Deng, Hanyuan 29 Milovanović, Emina I. 29 Milovanović, Igor Ž. 27 Došlić, Tomislav 25 Chen, Lansun 25 Imran, Muhammad 25 Roul, Pradip 24 Ali, Akbar 23 Ashrafi, Ali Reza 23 Matejić, Marjan M. 22 Balasubramanian, Krishnan 22 Craciun, Gheorghe 22 Fujita, Shinsaku 22 Jia, Jiteng 22 Li, Xueliang 21 Fang, Yonglei 21 You, Xiong 20 Guseinov, I. 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F. 17 Jiang, Daqing 17 Klavžar, Sandi 17 Mezey, Paul G. 17 Ramos, Higinio 17 Rodríguez García, José Manuel 17 Singh, Randhir 17 Zhang, Fuji 16 Bersani, Alberto Maria 16 Dehmer, Matthias 16 Klein, Douglas J. 16 Liu, Muhuo 16 Mendoza, Eduardo R. 16 Paternoster, Beatrice 16 Škrekovski, Riste 16 Spiga, Giampiero 16 Wu, Tingzeng 15 Besalú, Emili 15 Bisi, Marzia 15 Gao, Wei 15 Ghorbani, Modjtaba 15 Skakauskas, Vladas 15 Tsitouras, Charalampos 15 Xu, Kexiang 14 Meng, Xinzhu 14 Trinajstić, Nenad 14 Yan, Weigen 14 Yuan, Sanling 13 Akhter, Shehnaz 13 Anastassi, Zacharias A. 13 Chowdhury, Rajib 13 Cruz, Roberto 13 D’Ambrosio, Raffaele 13 Diudea, Mircea V. 13 Gubernov, Vladimir Vladimirovich 13 Jahanbani, Akbar 13 Mamedov, Bahtiyar A. 13 Medvedev, Maxim A. 13 Shi, Yongtang 13 Siddiqui, Muhammad Kamran 13 Verma, Amit Kumar 13 Walcher, Sebastian 13 Wang, Wenhuan 13 Yang, Yujun 13 Ye, Dong 13 Zhu, Lemin 12 Arimoto, Shigeru 12 Băleanu, Dumitru I. 12 Banaji, Murad ...and 6,370 more Authors all top 5 Cited in 524 Journals 1,429 Journal of Mathematical Chemistry 264 Applied Mathematics and Computation 225 Discrete Applied Mathematics 106 Journal of Computational and Applied Mathematics 92 Linear Algebra and its Applications 58 Journal of Applied Mathematics and Computing 54 Applied Mathematics Letters 53 Journal of Computational Physics 50 Computers & Mathematics with Applications 48 International Journal of Applied and Computational Mathematics 47 International Journal of Computer Mathematics 45 Fractals 44 Physica A 44 Advances in Difference Equations 43 Discrete Mathematics 43 Computational and Applied Mathematics 42 Journal of Mathematical Physics 38 Chaos, Solitons and Fractals 37 Mathematics and Computers in Simulation 37 Journal of Theoretical Biology 36 Applied Numerical Mathematics 35 Discrete Dynamics in Nature and Society 34 Journal of Discrete Mathematical Sciences & Cryptography 32 International Journal of Theoretical Physics 32 Mathematical Problems in Engineering 32 MATCH - Communications in Mathematical and in Computer Chemistry 31 Numerical Algorithms 31 Journal of Mathematics 30 Journal of Mathematical Biology 30 Iranian Journal of Mathematical Chemistry 29 Bulletin of Mathematical Biology 29 Applied Mathematical Modelling 27 Mathematical Biosciences 27 Discrete Mathematics, Algorithms and Applications 26 Advances in High Energy Physics 25 International Journal of Bifurcation and Chaos in Applied Sciences and Engineering 24 Computer Physics Communications 24 Journal of Mathematical Analysis and Applications 24 Mathematical and Computer Modelling 24 Filomat 24 Nonlinear Analysis. 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