Journal of Mathematical Chemistry Short Title: J. Math. Chem. Publisher: Springer International Publishing, Cham ISSN: 0259-9791; 1572-8897/e Online: http://link.springer.com/journal/volumesAndIssues/10910 Comments: Indexed cover-to-cover Documents Indexed: 2,954 Publications (since 1994) References Indexed: 2,562 Publications with 87,455 References. all top 5 Latest Issues 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) 51, No. 8 (2013) 51, No. 7 (2013) 51, No. 6 (2013) ...and 131 more Volumes all top 5 Authors 156 Simos, Theodore E. 110 Carbó-Dorca, Ramon 47 Belkić, Dževad 41 Demiralp, Metin 37 Belkić, Karen 35 Nalewajski, Roman F. 33 Guseinov, I. I. 32 Fujita, Shinsaku 32 Mezey, Paul G. 30 Besalú, Emili 29 Fernández, Francisco Marcelo 29 Gutman, Ivan M. 28 Alolyan, Ibraheem 28 Ivanauskas, Feliksas. F. 26 Lim, Teik-Cheng 25 Balasubramanian, Krishnan 25 Rabitz, Herschel A. 21 Castro, Eduardo A. 21 Klein, Douglas J. 21 March, Norman H. 21 Rosenfeld, Vladimir Raphael 21 Zhang, Heping 20 Mamedov, Bahtiyar A. 20 Vigo-Aguiar, Jesus 20 Zhou, Bo 19 Arimoto, Shigeru 19 Sever, Ramazan 19 Trinajstić, Nenad 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 Lin, Chialiang 15 Magreñán, Ángel Alberto 15 Merkin, John H. 15 Torregrosa Sanchez, Juan Ramón 14 Baronas, Romas 14 Randić, Milan 14 Varon, Ramón 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 Jia, Jiteng 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 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 8 Mikulski, Damian ...and 3,054 more Authors all top 5 Fields 1,674 Biology and other natural sciences (92-XX) 783 Quantum theory (81-XX) 500 Numerical analysis (65-XX) 422 Combinatorics (05-XX) 251 Ordinary differential equations (34-XX) 223 Partial differential equations (35-XX) 212 Statistical mechanics, structure of matter (82-XX) 120 Classical thermodynamics, heat transfer (80-XX) 119 Dynamical systems and ergodic theory (37-XX) 77 Statistics (62-XX) 69 Special functions (33-XX) 66 Linear and multilinear algebra; matrix theory (15-XX) 63 Probability theory and stochastic processes (60-XX) 55 Information and communication theory, circuits (94-XX) 46 Group theory and generalizations (20-XX) 44 Approximations and expansions (41-XX) 42 Fluid mechanics (76-XX) 40 Operator theory (47-XX) 40 Optics, electromagnetic theory (78-XX) 35 Convex and discrete geometry (52-XX) 33 Mechanics of particles and systems (70-XX) 32 Calculus of variations and optimal control; optimization (49-XX) 31 Computer science (68-XX) 30 Systems theory; control (93-XX) 27 Manifolds and cell complexes (57-XX) 23 General and overarching topics; collections (00-XX) 23 Harmonic analysis on Euclidean spaces (42-XX) 22 Operations research, mathematical programming (90-XX) 21 Mechanics of deformable solids (74-XX) 20 Functional analysis (46-XX) 19 Number theory (11-XX) 19 Topological groups, Lie groups (22-XX) 17 Integral transforms, operational calculus (44-XX) 16 Real functions (26-XX) 15 Geometry (51-XX) 13 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 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 Functions of a complex variable (30-XX) 7 Astronomy and astrophysics (85-XX) 6 Associative rings and algebras (16-XX) 6 Game theory, economics, finance, and other social and behavioral sciences (91-XX) 5 Algebraic geometry (14-XX) 5 Nonassociative rings and algebras (17-XX) 4 History and biography (01-XX) 4 Commutative algebra (13-XX) 4 Potential theory (31-XX) 4 Geophysics (86-XX) 2 Abstract harmonic analysis (43-XX) 2 Algebraic topology (55-XX) 1 \(K\)-theory (19-XX) 1 Several complex variables and analytic spaces (32-XX) Publications by Year all cited Publications top 5 cited Publications Citations contained in zbMATH Open 1,872 Publications have been cited 13,871 times in 5,079 Documents Cited by ▼ Year ▼ 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 A forgotten topological index. Zbl 1317.05031Furtula, Boris; Gutman, Ivan 144 2015 On a novel connectivity index. Zbl 1197.92060Zhou, Bo; Trinajstić, Nenad 124 2009 General foundations of high-dimensional model representations. Zbl 0957.93004Rabitz, Herschel; Alış, Ömer F. 122 1999 On general sum-connectivity index. Zbl 1195.92083Zhou, Bo; Trinajstić, Nenad 119 2010 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 modified phase-fitted Runge-Kutta method for the numerical solution of the Schrödinger equation. Zbl 1003.65082Simos, T. E.; Aguiar, Jesus Vigo 93 2001 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. 92 2015 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 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. 91 2016 Trigonometrically fitted Runge-Kutta methods for the numerical solution of the Schrödinger equation. Zbl 1070.81035Anastassi, Z. A.; Simos, T. E. 90 2005 A new two-step hybrid method for the numerical solution of the Schrödinger equation. Zbl 1200.81051Konguetsof, A. 89 2010 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. 87 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 86 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 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 Two-step high order hybrid explicit method for the numerical solution of the Schrödinger equation. Zbl 1198.81092Konguetsof, A. 79 2010 A family of multiderivative methods for the numerical solution of the Schrödinger equation. Zbl 1070.81045Sakas, D. P.; Simos, T. E. 76 2005 Symplectic methods for the numerical solution of the radial Schrödinger equation. Zbl 1029.65134Tselios, Kostas; Simos, T. E. 76 2003 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 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. 74 2001 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 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 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 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 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. 71 2015 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 economical eighth-order method for the approximation of the solution of the Schrödinger equation. Zbl 1422.65115Wang, Zhiwei; Simos, T. E. 68 2017 An explicit four-step method with vanished phase-lag and its first and second derivatives. Zbl 1297.65084Simos, T. E. 65 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. 64 2014 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. 63 2007 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 A four-step exponentially fitted method for the numerical solution of the Schrödinger equation. Zbl 1125.81023Simos, T. E. 61 2006 A finite difference pair with improved phase and stability properties. Zbl 1384.65050Yan, Ke; Simos, T. E. 58 2018 A family of explicit linear six-step methods with vanished phase-lag and its first derivative. Zbl 1301.65068Alolyan, Ibraheem; Simos, T. E. 57 2014 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 Closed Newton-Cotes trigonometrically-fitted formulae of high order for the numerical integration of the Schrödinger equation. Zbl 1217.65054Simos, T. E. 55 2008 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 Unicyclic graphs with minimal energy. Zbl 0977.05085Hou, Yaoping 53 2001 A unification of chirality measures. Zbl 0865.92026Weinberg, Noham; Mislow, Kurt 52 1995 A new explicit hybrid four-step method with vanished phase-lag and its derivatives. Zbl 1297.65085Simos, T. E. 52 2014 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 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. 49 2015 Efficient implementation of high dimensional model representations. Zbl 1051.93502Alis, Ömer F.; Rabitz, Herschel 48 2001 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. 48 2015 Some embedded modified Runge-Kutta methods for the numerical solution of some specific Schrödinger equations. Zbl 0915.65084Simos, T. E. 47 1998 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 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 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 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 45 2014 A second-order scheme for the “Brusselator” reaction-diffusion system. Zbl 1016.92049Twizell, E. H.; Gumel, A. B.; Cao, Q. 44 2000 Cyclical edge-connectivity of fullerene graphs and \((k,6)\)-cages. Zbl 1018.92036Došlić, Tomislav 44 2003 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 A hybrid method with phase-lag and derivatives equal to zero for the numerical integration of the Schrödinger equation. Zbl 1304.65170Konguetsof, A. 42 2011 Identifiability of chemical reaction networks. Zbl 1145.92040Craciun, Gheorghe; Pantea, Casian 41 2008 Exponential Fitting method for the time-dependent Schrödinger equation. Zbl 1198.81100Rizea, M. 41 2010 Kinetic approach to chemical reactions and inelastic transitions in a rarefied gas. Zbl 1048.92502Groppi, M.; Spiga, G. 39 1999 A generator of families of two-step numerical methods with free parameters and minimal phase-lag. Zbl 1421.65017Konguetsof, A. 38 2017 A three-stages multistep teeming in phase algorithm for computational problems in chemistry. Zbl 1417.81172Medvedev, Maxim A.; Simos, T. E. 37 2019 A family of P-stable eighth algebraic order methods with exponential fitting facilities. Zbl 0995.81506Aguiar, J. V.; Simos, T. E. 35 2001 Monotone chemical reaction networks. Zbl 1117.80309De Leenheer, Patrick; Angeli, David; Sontag, Eduardo D. 35 2007 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 An efficient and computational effective method for second order problems. Zbl 1422.65113Ma, Jing; Simos, T. E. 35 2017 Embedded eighth order methods for the numerical solution of the Schrödinger equation. Zbl 0954.65061Avdelas, G.; Simos, T. E. 34 2000 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 The Estrada index of chemical trees. Zbl 1309.92085Ilić, Aleksandar; Stevanović, Dragan 34 2010 Eighth order methods with minimal phase-lag for accurate computations for the elastic scattering phase-shift problem. Zbl 0900.81031Simos, T. E. 33 1997 A family of \(P\)-stable exponentially-fitted methods for the numerical solution of the Schrödinger equation. Zbl 0954.65064Simos, T. E. 33 1999 Bifurcation analysis of reaction-diffusion Schnakenberg model. Zbl 1320.92088Liu, Ping; Shi, Junping; Wang, Yuwen; Feng, Xiuhong 33 2013 On Harary index. Zbl 1217.05216Zhou, Bo; Cai, Xiaochun; Trinajstić, Nenad 33 2008 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 On resistance-distance and Kirchhoff index. Zbl 1187.92092Zhou, Bo; Trinajstić, Nenad 32 2009 Bounds for the Kirchhoff index via majorization techniques. Zbl 1327.05066Bianchi, Monica; Cornaro, Alessandra; Palacios, José Luis; Torriero, Anna 32 2013 Minimum general sum-connectivity index of unicyclic graphs. Zbl 1293.05048Du, Zhibin; Zhou, Bo; Trinajstić, Nenad 32 2010 Landscapes and their correlation functions. Zbl 1002.92547Stadler, Peter F. 31 1996 Atoms of multistationarity in chemical reaction networks. Zbl 1352.92186Joshi, Badal; Shiu, Anne 31 2013 Mostar index. Zbl 1406.92750Došlić, Tomislav; Martinjak, Ivica; Škrekovski, Riste; Tipurić Spužević, Sanja; Zubac, Ivana 31 2018 Terminal Wiener index. Zbl 1310.05075Gutman, Ivan; Furtula, Boris; Petrović, Miroslav 30 2009 Dynamic behaviors of Monod type chemostat model with impulsive perturbation on the nutrient concentration. Zbl 1217.34125Sun, Shulin; Chen, Lansun 30 2007 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 On lower bounds of number of perfect matchings in fullerene graphs. Zbl 0918.92025Došlić, Tomislav 29 1998 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 upper bounds on Zagreb indices. Zbl 1200.92048Das, Kinkar Ch.; Gutman, Ivan; Zhou, Bo 28 2009 A family of eight-step methods with vanished phase-lag and its derivatives for the numerical integration of the Schrödinger equation. Zbl 1217.65143Alolyan, Ibraheem; Simos, T. E. 28 2011 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 A constructive approach to quasi-steady state reductions. Zbl 1331.92172Goeke, Alexandra; Walcher, Sebastian 28 2014 Bifurcation analysis and chaos control in discrete-time glycolysis models. Zbl 1384.92030Din, Qamar 28 2018 Computing sparse and dense realizations of reaction kinetic systems. Zbl 1198.92052Szederkényi, Gábor 28 2010 On the permanental polynomials of some graphs. Zbl 1048.05062Yan, Weigen; Zhang, Fuji 27 2004 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 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 Sombor index: review of extremal results and bounds. Zbl 1492.92156Liu, Hechao; Gutman, Ivan; You, Lihua; Huang, Yufei 4 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. 3 2022 Shadows’ hypercube, vector spaces, and non-linear optimization of QSPR procedures. Zbl 1486.92335Carbó-Dorca, Ramon 2 2022 In vitro proton magnetic resonance spectroscopy at 14T for benign and malignant ovary. I: Signal processing by the nonparametric fast Padé transform. Zbl 1486.92095Belkić, Dževad; Belkić, Karen 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 A two-step method singularly P-Stable with improved properties for problems in quantum chemistry. Zbl 1487.81087Medvedeva, Marina A.; Simos, T. E. 1 2022 Determination of unknown molecular properties in molecular spaces. Zbl 07496319Carbó-Dorca, Ramon 1 2022 Atomic electronegativity based on hardness and floating spherical Gaussian orbital approach. Zbl 1487.81156Kumari, Varsha; Singh, Tanupriya; Devi, Saroj; Tandon, Hiteshi; Labarca, Martín; Chakraborty, Tanmoy 1 2022 A phase-fitting singularly P-stable economical two-step method for problems in quantum chemistry. Zbl 1484.81033Medvedev, Maxim A.; Simos, T. E. 1 2022 A 1-separation formula for the graph Kemeny constant and Braess edges. Zbl 1481.05146Faught, Nolan; Kempton, Mark; Knudson, Adam 1 2022 Efficient implementation of advanced Richardson extrapolation in an atmospheric chemical scheme. Zbl 1481.92192Zlatev, Zahari; Dimov, Ivan; Faragó, István; Georgiev, Krassimir; Havasi, Ágnes 1 2022 Rényi’s divergence as a chemical similarity criterion. Zbl 1481.92189Flores-Gallegos, N. 1 2022 A multistep method with optimal phase and stability properties for problems in quantum chemistry. Zbl 1492.65193Medvedeva, Marina A.; Simos, T. E. 1 2022 mad-GP: automatic differentiation of Gaussian processes for molecules and materials. Zbl 1491.92142Huang, Daniel; Teng, Chong; Bao, Junwei Lucas; Tristan, Jean-Baptiste 1 2022 Analysis of solutions of time-dependent Schrödinger equation of a particle trapped in a spherical box. Zbl 1496.81053Nath, Debraj; Carbó-Dorca, Ramon 1 2022 Weakly reversible CF-decompositions of chemical kinetic systems. Zbl 1492.92164Hernandez, Bryan S.; Mendoza, Eduardo R. 1 2022 Rod-packing arrangements of invariant tori in solenoidal vector fields with cubic symmetries. Zbl 1497.92367Nishiyama, Takahiro 1 2022 In vitro proton magnetic resonance spectroscopy at 14 T for benign and malignant ovary. II: Signal processing by the parametric fast Padé transform. Zbl 1497.92140Belkić, Dževad; Belkić, Karen 1 2022 CMMSE: analysis and comparison of some numerical methods to solve a nonlinear fractional Gross-Pitaevskii system. Zbl 1498.81147Serna-Reyes, Adán; Macías-Díaz, Jorge E.; Gallegos, Armando; Reguera, Nuria 1 2022 An efficient numerical technique for solving nonlinear singularly perturbed reaction diffusion problem. Zbl 1502.65226Khari, Kartikay; Kumar, Vivek 1 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. 1 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. 1 2022 A phase-fitting singularly P-stable cost-effective two-step method for solving chemistry problems. Zbl 07601310Lin, Chia-Liang; Simos, T. E. 1 2022 Extremal values of the Sombor index in unicyclic and bicyclic graphs. Zbl 1462.05071Cruz, Roberto; Rada, Juan 19 2021 A gecko-like fractal receptor of a three-dimensional printing technology: a fractal oscillator. Zbl 1466.92309Zuo, Yuting 15 2021 Homotopy perturbation method with three expansions. Zbl 1495.34028He, Ji-Huan; El-Dib, Yusry O. 13 2021 He-Laplace variational iteration method for solving the nonlinear equations arising in chemical kinetics and population dynamics. Zbl 1472.35009Nadeem, Muhammad; He, Ji-Huan 11 2021 Positive equilibria of Hill-type kinetic systems. Zbl 1466.92303Hernandez, Bryan S.; Mendoza, Eduardo R. 7 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 07346601Belkić, Dževad; Belkić, Karen 7 2021 A uniformly convergent quadratic B-spline collocation method for singularly perturbed parabolic partial differential equations with two small parameters. Zbl 1471.65164Shivhare, Meenakshi; Podila, Pramod Chakravarthy; Kumar, Devendra 6 2021 A new economical method with eliminated phase-lag and its derivative for problems in chemistry. Zbl 1466.65048Ma, Yu-Yu; Lin, Chia-Liang; Simos, T. E. 6 2021 Derivative NMR spectroscopy for J-coupled multiplet resonances using short time signals (0.5KB) encoded at low magnetic field strengths (1.5T). II: Water unsuppressed. Zbl 07346602Belkić, Dževad; Belkić, Karen 5 2021 Minimum distance-unbalancedness of trees. Zbl 1462.92058Kramer, Marie; Rautenbach, Dieter 4 2021 Generalized scalar products in Minkowski metric spaces. Zbl 1467.51004Carbó-Dorca, Ramon 4 2021 In vivo derivative NMR spectroscopy for simultaneous improvements of resolution and signal-to-noise-ratio: case study, glioma. Zbl 1476.81164Belkić, Dževad; Belkić, Karen 4 2021 Numerical solution of system of Emden-Fowler type equations by Bernstein collocation method. 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Zbl 1470.34006Qin, Yupeng; Lou, Qingjun 2 2021 Analytic properties of sextet polynomials of hexagonal systems. Zbl 1462.05188Li, Guanru; Liu, Lily Li; Wang, Yi 2 2021 A block diagonalization based algorithm for the determinants of block \(k\)-tridiagonal matrices. Zbl 1472.65050Jia, Ji-Teng; Yan, Yu-Cong; He, Qi 2 2021 Combinatorial enumeration of relativistic states of actinide dimers. Zbl 1469.81082Balasubramanian, Krishnan 2 2021 Analytical and statistical studies of Rodriguez-Velazquez indices. Zbl 1462.05063Aguilar-Sánchez, R.; Méndez-Bermúdez, J. A.; Rodríguez, José M.; Sigarreta, José M. 2 2021 The two-step exponential decay reaction network: analysis of the solutions and relation to epidemiological SIR models with logistic and Gompertz type infection contact patterns. Zbl 1466.92299Borisov, Milen; Markov, Svetoslav 2 2021 Domination number of catacondensed hexagonal systems. 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Zbl 1466.92300Cassani, Andrea; Monteverde, Alessandro; Piumetti, Marco 1 2021 Exact solutions of non-linear Klein-Gordon equation with non-constant coefficients through the trial equation method. Zbl 1466.81014Macías-Díaz, Jorge E.; Medina-Guevara, María G.; Vargas-Rodríguez, Héctor 1 2021 The Tutte polynomials of catacondensed benzenoid systems. Zbl 1466.92282Ren, Haizhen; Xu, Deqing; Yang, Weiling 1 2021 Using the blow-up technique for a modified Lindemann mechanism. Zbl 1466.92298Bayón, L.; Fortuny Ayuso, P.; García Fernández, V. M.; Tasis, C.; Ruiz, M. M.; Suarez, P. M. 1 2021 A new implicit high-order six-step singularly P-stable method for the numerical solution of Schrödinger equation. Zbl 1466.81015Shokri, Ali; Mehdizadeh Khalsaraei, Mohammad 1 2021 Richardson-Gaudin geminal wavefunctions in a Slater determinant basis. 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Zbl 1470.05038Indulal, Gopalapillai; Alex, Liju; Gutman, Ivan 1 2021 Eigensolution of the Klein-Gordon equation for modified Yukawa-Kratzer potential and its applications using parametric Nikiforov-Uvarov and SUSYQM method. Zbl 1477.81134Parmar, Rajendrasinh H.; Vinodkumar, P. C. 1 2021 Complete forcing numbers of hexagonal systems. Zbl 1478.92262He, Xin; Zhang, Heping 1 2021 A new spectral collocation method for solving Bratu-type equations using Genocchi polynomials. Zbl 1487.65105Swaminathan, G.; Hariharan, G.; Selvaganesan, V.; Bharatwaja, S. 1 2021 Extension of Fermat’s last theorem in Minkowski natural spaces. Zbl 1470.11050Carbó-Dorca, Ramon; Reyes, Sebastián; Niño, Alfonso 1 2021 Two-step method with vanished phase-lag and its derivatives for problems in quantum chemistry: an economical case. Zbl 1476.81166Medvedev, Maxim A.; Simos, T. E. 1 2021 An economical two-step method with optimal phase and stability properties for problems in chemistry. Zbl 1476.81165Medvedeva, Marina A.; Simos, T. E. 1 2021 Minimum-uncertainty coherent states of the hyperbolic and trigonometric Rosen-Morse oscillators. Zbl 1476.81064Molski, Marcin 1 2021 A phase fitted FinDiff process for DifEquns in quantum chemistry. Zbl 1433.81079Hao, Sheng; Simos, T. E. 24 2020 Homotopy perturbation method for Fangzhu oscillator. Zbl 1470.34050He, Ji-Huan; El-Dib, Yusry O. 22 2020 An integrated in phase FD procedure for DiffEqns in chemical problems. Zbl 1433.81081Ma, Yu-Yu; Lin, Chia-Liang; Simos, T. E. 19 2020 A complete in phase FinitDiff procedure for DiffEquns in chemistry. Zbl 1433.81168Tong, Xing; Simos, T. E. 19 2020 A phase fitted FiniteDiffr process for DiffrntEqutns in chemistry. Zbl 1440.65283Chen, Xiaoping; Simos, T. E. 16 2020 A complete in phase FiniteDiffrnc algorithm for DiffrntEqutins in chemistry. Zbl 1440.65284Lin, Chia-Liang; Simos, T. E. 14 2020 Full in phase finite difference algorithm for differential equations in quantum chemistry. 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M. 3 2020 ...and 1144 more Documents all cited Publications top 5 cited Publications all top 5 Cited by 6,215 Authors 181 Simos, Theodore E. 77 Carbó-Dorca, Ramon 72 Zhang, Heping 57 Gutman, Ivan M. 46 Demiralp, Metin 40 Das, Kinkar Chandra 39 Belkić, Dževad 36 Li, Shuchao 35 Rada, Juan 34 Liu, Jia-bao 34 Nalewajski, Roman F. 33 Zhou, Bo 31 Belkić, Karen 30 Alolyan, Ibraheem 30 Farahani, Mohammad Reza 29 Cordero, Alicia 29 Deng, Hanyuan 29 Torregrosa Sanchez, Juan Ramón 27 Milovanović, Emina I. 27 Milovanović, Igor Ž. 26 Došlić, Tomislav 25 Chen, Lansun 25 Roul, Pradip 24 Imran, Muhammad 23 Ali, Akbar 22 Fujita, Shinsaku 22 Li, Xueliang 22 Matejić, Marjan M. 21 Ashrafi, Ali Reza 21 Fang, Yonglei 21 You, Xiong 20 Guseinov, I. I. 20 Jia, Jiteng 20 Rabitz, Herschel A. 20 Sever, Ramazan 20 Sigarreta Almira, José María 20 Vigo-Aguiar, Jesus 19 Balasubramanian, Krishnan 19 Craciun, Gheorghe 19 Rosenfeld, Vladimir Raphael 19 Zhang, Tonghua 18 Argyros, Ioannis Konstantinos 18 Behl, Ramandeep 18 Du, Zhibin 18 Hua, Hongbo 18 Ikhdair, Sameer M. 18 Szederkényi, Gábor 17 Din, Qamar 17 Furtula, Boris 17 Ivanauskas, Feliksas. F. 17 Jiang, Daqing 17 Macías-Díaz, Jorge Eduardo 17 Mezey, Paul G. 17 Ramos, Higinio 17 Rodríguez García, José Manuel 17 Zhang, Fuji 16 Bersani, Alberto Maria 16 Dehmer, Matthias 16 Klavžar, Sandi 16 Lin, Chialiang 16 Mendoza, Eduardo R. 16 Paternoster, Beatrice 16 Škrekovski, Riste 16 Spiga, Giampiero 16 Wu, Tingzeng 15 Besalú, Emili 15 Bisi, Marzia 15 Klein, Douglas J. 15 Liu, Muhuo 15 Singh, Randhir 15 Skakauskas, Vladas 15 Xu, Kexiang 14 Meng, Xinzhu 14 Trinajstić, Nenad 14 Tsitouras, Charalampos 14 Yan, Weigen 14 Yuan, Sanling 13 Anastassi, Zacharias A. 13 Cruz, Roberto 13 D’Ambrosio, Raffaele 13 Diudea, Mircea V. 13 Gao, Wei 13 Ghorbani, Modjtaba 13 He, Jihuan 13 Jahanbani, Akbar 13 Mamedov, Bahtiyar A. 13 Medvedev, Maxim A. 13 Shi, Yongtang 13 Verma, Amit Kumar 13 Walcher, Sebastian 13 Ye, Dong 13 Zhu, Lemin 12 Akhter, Shehnaz 12 Arimoto, Shigeru 12 Banaji, Murad 12 García Guirao, Juan Luis 12 Groppi, Maria 12 Gubernov, Vladimir Vladimirovich 12 He, Chun-Hui 12 Johnston, Matthew D. ...and 6,115 more Authors all top 5 Cited in 502 Journals 1,408 Journal of Mathematical Chemistry 257 Applied Mathematics and Computation 219 Discrete Applied Mathematics 105 Journal of Computational and Applied Mathematics 89 Linear Algebra and its Applications 58 Journal of Applied Mathematics and Computing 54 Applied Mathematics Letters 52 Journal of Computational Physics 48 Computers & Mathematics with Applications 47 International Journal of Applied and Computational Mathematics 44 Fractals 43 Discrete Mathematics 43 Physica A 43 International Journal of Computer Mathematics 43 Advances in Difference Equations 42 Journal of Mathematical Physics 39 Computational and Applied Mathematics 37 Chaos, Solitons and Fractals 35 Journal of Theoretical Biology 34 Discrete Dynamics in Nature and Society 34 Journal of Discrete Mathematical Sciences & Cryptography 31 International Journal of Theoretical Physics 31 Applied Numerical Mathematics 31 Numerical Algorithms 31 Journal of Mathematics 30 Mathematics and Computers in Simulation 28 Journal of Mathematical Biology 28 Bulletin of Mathematical Biology 27 Mathematical Biosciences 27 MATCH - Communications in Mathematical and in Computer Chemistry 26 Mathematical Problems in Engineering 26 Iranian Journal of Mathematical Chemistry 25 International Journal of Bifurcation and Chaos in Applied Sciences and Engineering 25 Advances in High Energy Physics 24 Computer Physics Communications 24 Journal of Mathematical Analysis and Applications 24 Mathematical and Computer Modelling 24 Filomat 23 Communications in Nonlinear Science and Numerical Simulation 23 Nonlinear Analysis. 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Graph Theory 11 Kragujevac Journal of Mathematics 11 Advances and Applications in Discrete Mathematics 10 Theoretical Computer Science 10 Physica D 10 European Journal of Operational Research 10 Chaos 10 South East Asian Journal of Mathematics and Mathematical Sciences 10 Inverse Problems in Science and Engineering 10 Proyecciones 10 Applied Mathematics and Nonlinear Sciences 9 Nonlinear Analysis. Theory, Methods & Applications. Series A: Theory and Methods 9 Journal of Difference Equations and Applications 9 International Journal of Modern Physics C 9 The ANZIAM Journal 9 Nonlinear Analysis. Modelling and Control 9 Kinetic and Related Models 9 Journal of Function Spaces 9 Open Mathematics 8 International Journal of Modern Physics B 8 Rocky Mountain Journal of Mathematics ...and 402 more Journals all top 5 Cited in 62 Fields 1,920 Biology and other natural sciences (92-XX) 1,519 Combinatorics (05-XX) 1,101 Numerical analysis (65-XX) 669 Ordinary differential equations (34-XX) 613 Partial differential equations (35-XX) 609 Quantum theory (81-XX) 259 Statistical mechanics, structure of matter (82-XX) 243 Dynamical systems and ergodic theory (37-XX) 172 Classical thermodynamics, heat transfer (80-XX) 169 Linear and multilinear algebra; matrix theory (15-XX) 156 Fluid mechanics (76-XX) 148 Probability theory and stochastic processes (60-XX) 132 Systems theory; control (93-XX) 121 Operations research, mathematical programming (90-XX) 116 Statistics (62-XX) 102 Computer science (68-XX) 100 Special functions (33-XX) 88 Operator theory (47-XX) 83 Approximations and expansions (41-XX) 77 Information and communication theory, circuits (94-XX) 72 Calculus of variations and optimal control; optimization (49-XX) 71 Mechanics of deformable solids (74-XX) 61 Real functions (26-XX) 51 Difference and functional equations (39-XX) 50 Mechanics of particles and systems (70-XX) 49 Harmonic analysis on Euclidean spaces (42-XX) 49 Optics, electromagnetic theory (78-XX) 44 Manifolds and cell complexes (57-XX) 42 Integral equations (45-XX) 41 Number theory (11-XX) 38 Group theory and generalizations (20-XX) 35 Convex and discrete geometry (52-XX) 33 Relativity and gravitational theory (83-XX) 29 Game theory, economics, finance, and other social and behavioral sciences (91-XX) 26 Global analysis, analysis on manifolds (58-XX) 24 Measure and integration (28-XX) 20 Integral transforms, operational calculus (44-XX) 20 Functional analysis (46-XX) 17 Commutative algebra (13-XX) 16 Geometry (51-XX) 15 Differential geometry (53-XX) 14 Order, lattices, ordered algebraic structures (06-XX) 14 Algebraic geometry (14-XX) 12 Mathematical logic and foundations (03-XX) 12 Functions of a complex variable (30-XX) 12 General topology (54-XX) 11 General and overarching topics; collections (00-XX) 11 Topological groups, Lie groups (22-XX) 9 Sequences, series, summability (40-XX) 9 Geophysics (86-XX) 8 History and biography (01-XX) 7 Potential theory (31-XX) 6 Field theory and polynomials (12-XX) 6 Astronomy and astrophysics (85-XX) 5 Associative rings and algebras (16-XX) 4 Abstract harmonic analysis (43-XX) 4 Algebraic topology (55-XX) 4 Mathematics education (97-XX) 3 Nonassociative rings and algebras (17-XX) 1 Category theory; homological algebra (18-XX) 1 \(K\)-theory (19-XX) 1 Several complex variables and analytic spaces (32-XX) Citations by Year