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: 2,768 Publications (since 1994) References Indexed: 2,358 Publications with 78,211 References. all top 5 Latest Issues 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) 51, No. 5 (2013) 51, No. 4 (2013) 51, No. 3 (2013) 51, No. 2 (2013) 51, No. 1 (2013) 50, No. 10 (2012) 50, No. 9 (2012) 50, No. 8 (2012) 50, No. 7 (2012) 50, No. 6 (2012) 50, No. 5 (2012) 50, No. 4 (2012) 50, No. 3 (2012) 50, No. 2 (2012) 50, No. 1 (2012) 49, No. 10 (2011) 49, No. 9 (2011) 49, No. 8 (2011) ...and 113 more Volumes all top 5 Authors 143 Simos, Theodore E. 99 Carbó-Dorca, Ramon 41 Demiralp, Metin 40 Belkić, Dževad 35 Nalewajski, Roman F. 33 Guseinov, I. I. 32 Belkić, Karen 32 Mezey, Paul G. 30 Besalú, Emili 30 Fujita, Shinsaku 28 Alolyan, Ibraheem 27 Gutman, Ivan M. 26 Ivanauskas, Feliksas 26 Lim, Teik-Cheng 25 Rabitz, Herschel A. 23 Fernández, Francisco Marcelo 21 Castro, Eduardo A. 21 March, Norman H. 21 Zhang, Heping 20 Klein, Douglas J. 20 Mamedov, Bahtiyar A. 20 Zhou, Bo 19 Arimoto, Shigeru 19 Rosenfeld, Vladimir Raphael 19 Sever, Ramazan 19 Trinajstić, Nenad 19 Vigo-Aguiar, Jesus 18 Marmorino, M. G. 18 Vukičević, Damir 17 Bucknum, Michael John 17 Diudea, Mircea V. 17 Fang, Yonglei 17 Zhang, Fuji 16 Balasubramanian, Krishnan 16 Berberan-Santos, Mário N. 16 Došlić, Tomislav 15 Magreñán, Ángel Alberto 15 Merkin, John H. 14 Baronas, Romas 14 Cordero, Alicia 14 Randić, Milan 14 Torregrosa Sanchez, Juan Ramón 12 Chen, Lansun 12 Garcia-Moreno, Manuela 12 Hariharan, Govind 12 Hill, James Murray 12 Macías-Díaz, Jorge Eduardo 12 Strekalov, Mikhail L. 11 Argyros, Ioannis Konstantinos 11 Ayers, Paul W. 11 Baowan, Duangkamon 11 Deng, Hanyuan 11 Pogliani, Lionello 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 Cassam-Chenaï, Patrick 10 Karimi, Sasan 10 Kulys, Juozas 10 Lewinter, Marty 10 Li, Genyuan 10 Li, Ruifang 10 Lin, Chialiang 10 Rajendran, L. 10 Wazwaz, Abdul-Majid Abdul-Rahman 10 You, Xiong 9 Arribas, Enrique 9 Avery, John Scales 9 Bayón, Luis 9 Jia, Jiteng 9 Li, Risong 9 Medvedev, Maxim A. 9 Paldus, Josef 9 Ramos, Higinio 9 Shang, Zhenfeng 9 Sicilia, Juan Antonio 9 Sigarreta Almira, José María 9 Suárez, Pedro Maria 9 Taşeli, Hasan 9 Temme, F. P. 8 Banerjee, Kinshuk 8 Brinkmann, Gunnar 8 Chauvin, Remi 8 Cox, Barry James 8 Dehesa, Jesús S. 8 Gubernov, Vladimir Vladimirovich 8 Hasanoǧlu, Alemdar 8 Huang, Xuncheng 8 Leszczynski, Jerzy 8 Mikulski, Damian 8 Pang, Guoping 8 Quapp, Wolfgang 8 Singh, Randhir 8 Škrekovski, Riste 8 Szederkényi, Gábor 8 Toropov, Andrey A. ...and 2,814 more Authors all top 5 Fields 1,593 Biology and other natural sciences (92-XX) 718 Quantum theory (81-XX) 448 Numerical analysis (65-XX) 402 Combinatorics (05-XX) 225 Ordinary differential equations (34-XX) 199 Statistical mechanics, structure of matter (82-XX) 189 Partial differential equations (35-XX) 112 Dynamical systems and ergodic theory (37-XX) 105 Classical thermodynamics, heat transfer (80-XX) 66 Statistics (62-XX) 60 Linear and multilinear algebra; matrix theory (15-XX) 60 Special functions (33-XX) 54 Probability theory and stochastic processes (60-XX) 51 Information and communication theory, circuits (94-XX) 43 Group theory and generalizations (20-XX) 39 Optics, electromagnetic theory (78-XX) 36 Approximations and expansions (41-XX) 35 Fluid mechanics (76-XX) 34 Convex and discrete geometry (52-XX) 33 Operator theory (47-XX) 29 Calculus of variations and optimal control; optimization (49-XX) 28 Computer science (68-XX) 28 Mechanics of particles and systems (70-XX) 27 Systems theory; control (93-XX) 25 Manifolds and cell complexes (57-XX) 23 General and overarching topics; collections (00-XX) 22 Harmonic analysis on Euclidean spaces (42-XX) 21 Operations research, mathematical programming (90-XX) 18 Mechanics of deformable solids (74-XX) 16 Number theory (11-XX) 16 Topological groups, Lie groups (22-XX) 16 Functional analysis (46-XX) 15 Geometry (51-XX) 14 Integral transforms, operational calculus (44-XX) 12 Real functions (26-XX) 12 Integral equations (45-XX) 11 Difference and functional equations (39-XX) 10 Global analysis, analysis on manifolds (58-XX) 8 General topology (54-XX) 8 Relativity and gravitational theory (83-XX) 7 Order, lattices, ordered algebraic structures (06-XX) 7 Functions of a complex variable (30-XX) 7 Sequences, series, summability (40-XX) 7 Differential geometry (53-XX) 7 Astronomy and astrophysics (85-XX) 6 Mathematical logic and foundations (03-XX) 6 Measure and integration (28-XX) 5 Algebraic geometry (14-XX) 5 Associative rings and algebras (16-XX) 5 Nonassociative rings and algebras (17-XX) 5 Game theory, economics, finance, and other social and behavioral sciences (91-XX) 3 History and biography (01-XX) 3 Potential theory (31-XX) 3 Geophysics (86-XX) 2 Commutative algebra (13-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 1,681 Publications have been cited 11,540 times in 4,014 Documents Cited by ▼ Year ▼ General foundations of high-dimensional model representations. Zbl 0957.93004Rabitz, Herschel; Alış, Ömer F. 107 1999 A new Numerov-type method for the numerical solution of the Schrödinger equation. Zbl 1183.81060Simos, T. E. 92 2009 Topological index based on the ratios of geometrical and arithmetical means of end-vertex degrees of edges. Zbl 1200.92054Vukičević, Damir; Furtula, Boris 89 2009 A modified phase-fitted Runge-Kutta method for the numerical solution of the Schrödinger equation. Zbl 1003.65082Simos, T. E.; Aguiar, Jesus Vigo 87 2001 On a novel connectivity index. Zbl 1197.92060Zhou, Bo; Trinajstić, Nenad 87 2009 Trigonometrically fitted Runge-Kutta methods for the numerical solution of the Schrödinger equation. Zbl 1070.81035Anastassi, Z. A.; Simos, T. E. 85 2005 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. 85 2009 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 82 2002 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. 81 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 On general sum-connectivity index. Zbl 1195.92083Zhou, Bo; Trinajstić, Nenad 77 2010 A new two-step hybrid method for the numerical solution of the Schrödinger equation. Zbl 1200.81051Konguetsof, A. 75 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. 75 2015 A family of multiderivative methods for the numerical solution of the Schrödinger equation. Zbl 1070.81045Sakas, D. P.; Simos, T. E. 74 2005 A family of exponentially-fitted Runge-Kutta methods with exponential order up to three for the numerical solution of the Schrödinger equation. Zbl 1125.81017Anastassi, Z. A.; Simos, T. E. 74 2007 A forgotten topological index. Zbl 1317.05031Furtula, Boris; Gutman, Ivan 73 2015 A new explicit Bessel and Neumann fitted eighth algebraic order method for the numerical solution of the Schrödinger equation. Zbl 1014.81012Simos, T. E. 72 2000 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. 72 2001 Symplectic methods for the numerical solution of the radial Schrödinger equation. Zbl 1029.65134Tselios, Kostas; Simos, T. E. 72 2003 A generator and an optimized generator of high-order hybrid explicit methods for the numerical solution of the Schrödinger equation. I: Development of the basic method. Zbl 1022.81008Avdelas, G.; Konguetsof, A.; Simos, T. E. 71 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. 71 2002 Exponentially-fitted multiderivative methods for the numerical solution of the Schrödinger equation. Zbl 1050.65074Simos, T. E. 71 2004 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. 71 2015 High order closed Newton-Cotes exponentially and trigonometrically fitted formulae as multilayer symplectic integrators and their application to the radial Schrödinger equation. Zbl 1403.81016Simos, T. E. 71 2012 A family of trigonometrically-fitted symmetric methods for the efficient solution of the Schrödinger equation and related problems. Zbl 1029.65079Simos, T. E. 70 2003 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. 70 2016 Exponentially fitted symplectic methods for the numerical integration of the Schrödinger equation. Zbl 1073.65071Monovasilis, Th.; Kalogiratou, Z.; Simos, T. E. 69 2005 Sixth algebraic order trigonometrically fitted predictor-corrector methods for the numerical solution of the radial Schrödinger equation. Zbl 1070.81044Psihoyios, G.; Simos, T. E. 69 2005 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. 67 2013 Two-step high order hybrid explicit method for the numerical solution of the Schrödinger equation. Zbl 1198.81092Konguetsof, A. 66 2010 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. 66 2006 Symplectic methods of fifth order for the numerical solution of the radial Schrödinger equation. Zbl 1044.81031Tselios, Kostas; Simos, T. E. 65 2004 An explicit four-step method with vanished phase-lag and its first and second derivatives. Zbl 1297.65084Simos, T. E. 63 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 A four-step exponentially fitted method for the numerical solution of the Schrödinger equation. Zbl 1125.81023Simos, T. E. 61 2006 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. 59 2014 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. 57 2009 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 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. 57 2015 A unification of chirality measures. Zbl 0865.92026Weinberg, Noham; Mislow, Kurt 56 1995 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. 55 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. 54 2015 A family of explicit linear six-step methods with vanished phase-lag and its first derivative. Zbl 1301.65068Alolyan, Ibraheem; Simos, T. E. 54 2014 An economical eighth-order method for the approximation of the solution of the Schrödinger equation. Zbl 1422.65115Wang, Zhiwei; Simos, T. E. 54 2017 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. 53 2007 Augmented Zagreb index. Zbl 1196.92050Furtula, Boris; Graovac, Ante; Vukičević, Damir 52 2010 A new explicit hybrid four-step method with vanished phase-lag and its derivatives. Zbl 1297.65085Simos, T. E. 52 2014 Unicyclic graphs with minimal energy. Zbl 0977.05085Hou, Yaoping 51 2001 Closed Newton-Cotes trigonometrically-fitted formulae of high order for the numerical integration of the Schrödinger equation. Zbl 1217.65054Simos, T. E. 50 2008 A family of four-step trigonometrically-fitted methods and its application to the Schrödinger equation. Zbl 1217.65139Simos, T. E. 49 2008 A finite difference pair with improved phase and stability properties. Zbl 1384.65050Yan, Ke; Simos, T. E. 48 2018 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 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. 47 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 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 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. 47 2016 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. 44 2013 Efficient implementation of high dimensional model representations. Zbl 1051.93502Alis, Ömer F.; Rabitz, Herschel 42 2001 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. 42 2011 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. 42 2010 Cyclical edge-connectivity of fullerene graphs and \((k,6)\)-cages. Zbl 1018.92036Došlić, Tomislav 40 2003 A second-order scheme for the “Brusselator” reaction-diffusion system. Zbl 1016.92049Twizell, E. H.; Gumel, A. B.; Cao, Q. 36 2000 A family of P-stable eighth algebraic order methods with exponential fitting facilities. Zbl 0995.81506Aguiar, J. V.; Simos, T. E. 35 2001 Embedded eighth order methods for the numerical solution of the Schrödinger equation. Zbl 0954.65061Avdelas, G.; Simos, T. E. 34 2000 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. 34 2016 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 Monotone chemical reaction networks. Zbl 1117.80309De Leenheer, Patrick; Angeli, David; Sontag, Eduardo D. 33 2007 Identifiability of chemical reaction networks. Zbl 1145.92040Craciun, Gheorghe; Pantea, Casian 32 2008 Kinetic approach to chemical reactions and inelastic transitions in a rarefied gas. Zbl 1048.92502Groppi, M.; Spiga, G. 31 1999 Landscapes and their correlation functions. Zbl 1002.92547Stadler, Peter F. 30 1996 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. 30 2010 A hybrid method with phase-lag and derivatives equal to zero for the numerical integration of the Schrödinger equation. Zbl 1304.65170Konguetsof, A. 29 2011 Exponential Fitting method for the time-dependent Schrödinger equation. Zbl 1198.81100Rizea, M. 28 2010 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 28 2001 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 The Estrada index of chemical trees. Zbl 1309.92085Ilić, Aleksandar; Stevanović, Dragan 28 2010 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 28 2014 Global stability of complex balanced mechanisms. Zbl 1012.92046Siegel, D.; MacLean, D. 27 2000 Bounds for the Kirchhoff index via majorization techniques. Zbl 1327.05066Bianchi, Monica; Cornaro, Alessandra; Palacios, José Luis; Torriero, Anna 27 2013 An efficient and computational effective method for second order problems. Zbl 1422.65113Ma, Jing; Simos, T. E. 27 2017 On minimal energy ordering of acyclic conjugated molecules. Zbl 1002.92570Li, Huaien 26 1999 On Harary index. Zbl 1217.05216Zhou, Bo; Cai, Xiaochun; Trinajstić, Nenad 26 2008 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. 26 2010 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. 26 2013 General formulation of HDMR component functions with independent and correlated variables. Zbl 1320.62232Li, Genyuan; Rabitz, Herschel 25 2012 New lower bound on the number of perfect matchings in fullerene graphs. Zbl 1003.92039Zhang, Heping; Zhang, Fuji 25 2002 On resistance-distance and Kirchhoff index. Zbl 1187.92092Zhou, Bo; Trinajstić, Nenad 25 2009 Minimum general sum-connectivity index of unicyclic graphs. Zbl 1293.05048Du, Zhibin; Zhou, Bo; Trinajstić, Nenad 25 2010 A generator of families of two-step numerical methods with free parameters and minimal phase-lag. Zbl 1421.65017Konguetsof, A. 25 2017 A four stages numerical pair with optimal phase and stability properties. Zbl 1384.65048Kovalnogov, Vladislav N.; Fedorov, Ruslan V.; Golovanov, Viktor M.; Kostishko, Boris M.; Simos, T. E. 25 2018 Shells, point cloud huts, generalized scalar products, cosines and similarity tensor representations in vector semispaces. Zbl 1238.92068Carbó-Dorca, Ramon; Besalú, Emili 24 2012 On the permanental polynomials of some graphs. Zbl 1048.05062Yan, Weigen; Zhang, Fuji 24 2004 New upper bounds on Zagreb indices. Zbl 1200.92048Das, Kinkar Ch.; Gutman, Ivan; Zhou, Bo 24 2009 On lower bounds of number of perfect matchings in fullerene graphs. Zbl 0918.92025Došlić, Tomislav 24 1998 Computing sparse and dense realizations of reaction kinetic systems. Zbl 1198.92052Szederkényi, Gábor 24 2010 A multistage two-step fraught in phase scheme for problems in mathematical chemistry. Zbl 1436.65086Xu, Mingfei; Simos, T. E. 24 2019 An accomplished phase FD process for DEs in chemistry. Zbl 1429.81028Medvedeva, Marina A.; Simos, T. E. 24 2019 A three-stages multistep teeming in phase algorithm for computational problems in chemistry. Zbl 1417.81172Medvedev, Maxim A.; Simos, T. E. 24 2019 On some structural properties of fullerene graphs. Zbl 0994.05128Došlić, Tomislav 23 2002 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. 3 2021 Extremal values of the Sombor index in unicyclic and bicyclic graphs. Zbl 1462.05071Cruz, Roberto; Rada, Juan 1 2021 Positive equilibria of Hill-type kinetic systems. Zbl 1466.92303Hernandez, Bryan S.; Mendoza, Eduardo R. 1 2021 A phase fitted FinDiff process for DifEquns in quantum chemistry. Zbl 1433.81079Hao, Sheng; Simos, T. E. 21 2020 An integrated in phase FD procedure for DiffEqns in chemical problems. Zbl 1433.81081Ma, Yu-Yu; Lin, Chia-Liang; Simos, T. E. 16 2020 A complete in phase FinitDiff procedure for DiffEquns in chemistry. Zbl 1433.81168Tong, Xing; Simos, T. E. 16 2020 A phase fitted FiniteDiffr process for DiffrntEqutns in chemistry. Zbl 1440.65283Chen, Xiaoping; Simos, T. E. 12 2020 Full in phase finite difference algorithm for differential equations in quantum chemistry. Zbl 1440.65285Zhao, Zhen; Luo, Jun; Lin, Chia-Liang; Simos, T. E. 11 2020 Phase fitted method for quantum chemistry problems. Zbl 1444.81038Luo, Jun; Zhao, Zhen; Lin, Chia-Liang; Simos, T. E. 5 2020 Extremal catacondensed benzenoids with respect to the Mostar index. Zbl 1443.05040Deng, Kecai; Li, Shuchao 4 2020 Complete in phase method for problems in chemistry. Zbl 07251549Lin, Chia-Liang; Simos, T. E. 4 2020 Irreversible linear pathways in enzymatic reactions: analytical solution using the homotopy perturbation method. Zbl 1432.92042Bayón, L.; Fortuny Ayuso, P.; Grau, J. M.; Ruiz, M. M.; Suárez, P. M. 3 2020 Local convergence of fourth and fifth order parametric family of iterative methods in Banach spaces. Zbl 07171698Maroju, P.; Magreñán, Á. A.; Sarría, Í.; Kumar, Abhimanyu 3 2020 Phase fitted algorithm for problems in quantum chemistry. Zbl 1448.81484Medvedeva, Marina A.; Simos, T. E. 3 2020 A finite difference method with zero phase-lag and its derivatives for quantum chemistry problems. Zbl 1448.81315Wang, Zenggui; Simos, T. E. 3 2020 A finite difference method with phase-lag and its derivatives equal to zero for problems in chemistry. Zbl 1448.65076Medvedev, Maxim A.; Simos, T. E. 3 2020 A computational approach to multistationarity of power-law kinetic systems. Zbl 1432.92044Hernandez, Bryan S.; Mendoza, Eduardo R.; de los Reyes V, Aurelio A. 2 2020 Cantor-like transfinite sequences and Gödel-like incompleteness revealed by means of Mersenne transfinite dimensional Boolean hypercube concatenation. Zbl 1432.92112Carbó-Dorca, Ramon 2 2020 Feasibility study for applying the lower-order derivative fast Padé transform to measured time signals. Zbl 1455.94048Belkić, Dževad; Belkić, Karen 2 2020 Lie symmetries and conservation laws for a generalized \((2+1)\)-dimensional nonlinear evolution equation. Zbl 1436.35023Sáez, S.; de la Rosa, R.; Recio, E.; Garrido, T. M.; Bruzón, M. S. 2 2020 On the convergence of splitting algorithm for mixed equilibrium problems on Hadamard manifolds. Zbl 1433.90170Khammahawong, K.; Kumam, P.; Chaipunya, P. 2 2020 Fuzzy hypercubes and their time-like evolution. Zbl 1454.05079Chang, Jing; Carbó-Dorca, Ramon 2 2020 A complete in phase FiniteDiffrnc algorithm for DiffrntEqutins in chemistry. Zbl 1440.65284Lin, Chia-Liang; Simos, T. E. 2 2020 Induced \(H\)-packing \(k\)-partition number for certain nanotubes and chemical graphs. Zbl 1443.92201Xavier, Antony; Theresal, Santiagu; Raja, S. Maria Jesu 2 2020 Enumeration of relativistic states for superheavy and transactinide dimers in the periodic table. Zbl 1433.81163Balasubramanian, Krishnan 1 2020 Mean-based iterative methods for solving nonlinear chemistry problems. (CMMSE-2019 mean-based iterative methods for solving nonlinear chemistry problems.) Zbl 1432.92115Chicharro, Francisco I.; Cordero, Alicia; Martínez, Tobías H.; Torregrosa, Juan R. 1 2020 A discrete Schwarz waveform relaxation method of higher order for singularly perturbed parabolic reaction-diffusion problems. Zbl 1440.65126Rao, S. Chandra Sekhara; Kumar, Sunil; Singh, Joginder 1 2020 Mathematical modelling of pattern formation in activator-inhibitor reaction-diffusion systems with anomalous diffusion. Zbl 1432.92117Datsko, B.; Kutniv, M.; Włoch, A. 1 2020 Relations between some topological indices and the line graph. Zbl 1432.92111Carballosa, Walter; Granados, Ana; Pestana, Domingo; Portilla, Ana; Sigarreta, José M. 1 2020 A non-uniform difference scheme for solving singularly perturbed 1D-parabolic reaction-convection-diffusion systems with two small parameters and discontinuous source terms. Zbl 1433.65135Aarthika, K.; Shanthi, V.; Ramos, Higinio 1 2020 Weaker conditions for inexact mutitpoint Newton-like methods. Zbl 1433.65092Argyros, Ioannis K.; Magreñán, Á. Alberto; Moreno, Daniel; Orcos, Lara; Sicilia, Juan Antonio 1 2020 Usefulness of graph vertex complexity and class partial information content in explaining gas phase thermal entropy of chemical compounds. Zbl 1437.92170Raychaudhury, Chandan; Pal, Debnath 1 2020 A sixth order optimal B-spline collocation method for solving Bratu’s problem. Zbl 1462.65094Roul, Pradip; Goura, V. M. K. Prasad 1 2020 Computation of absolute radii of 103 elements of the periodic table in terms of nucleophilicity index. Zbl 1437.81207Tandon, Hiteshi; Ranjan, Prabhat; Chakraborty, Tanmoy; Suhag, Vandana 1 2020 Kudryashov and Sinelshchikov’s method for solving the radial oscillation problem of multielectron bubbles in liquid helium. Zbl 1447.82036Qin, Yupeng; Lou, Qingjun; Wang, Zhen; Zou, Li 1 2020 Modelling of the “surface explosion” of the \(\text{NO}+\text{H}_2\) reaction over supported catalysts. Zbl 1448.92403Skakauskas, V.; Katauskis, P. 1 2020 Discretization, bifurcation analysis and chaos control for Schnakenberg model. Zbl 1447.39008Din, Qamar; Haider, Kamran 1 2020 Knot theory for proteins: Gauss codes, quandles and bondles. Zbl 1448.92157Adams, Colin; Devadoss, Judah; Elhamdadi, Mohamed; Mashaghi, Alireza 1 2020 The new class of multistep multiderivative hybrid methods for the numerical solution of chemical stiff systems of first order IVPs. Zbl 1448.92399Khalsaraei, Mohammad Mehdizadeh; Shokri, Ali; Molayi, Maryam 1 2020 Steady-state concentrations of carbon dioxide absorbed into phenyl glycidyl ether solutions by residual method. Zbl 1443.92203Saranya, K.; Mohan, V.; Rajendran, L. 1 2020 Packing stars in fullerenes. Zbl 1466.92258Došlić, Tomislav; Taheri-Dehkordi, Meysam; Fath-Tabar, Gholam Hossein 1 2020 A multistage two-step fraught in phase scheme for problems in mathematical chemistry. Zbl 1436.65086Xu, Mingfei; Simos, T. E. 24 2019 An accomplished phase FD process for DEs in chemistry. Zbl 1429.81028Medvedeva, Marina A.; Simos, T. E. 24 2019 A three-stages multistep teeming in phase algorithm for computational problems in chemistry. Zbl 1417.81172Medvedev, Maxim A.; Simos, T. E. 24 2019 A Runge-Kutta type crowded in phase algorithm for quantum chemistry problems. Zbl 1422.81180Lv, Jieyin; Simos, T. E. 19 2019 A multiple stage absolute in phase scheme for chemistry problems. Zbl 1426.81059Zhang, Xunying; Simos, T. E. 17 2019 A perfect in phase FD algorithm for problems in quantum chemistry. Zbl 1426.81058Qiu, Junlai; Huang, Junjie; Simos, T. E. 15 2019 New multiple stages two-step complete in phase algorithm with improved characteristics for second order initial/boundary value problems. Zbl 1414.81100Wang, Guiping; Simos, T. E. 13 2019 Taylor series solution for Lane-Emden equation. Zbl 1429.34027He, Ji-Huan; Ji, Fei-Yu 12 2019 A new multistep method with optimized characteristics for initial and/or boundary value problems. Zbl 1406.81027Qiu, Guo-Hua; Liu, Chenglian; Simos, T. E. 10 2019 A variational principle for a thin film equation. Zbl 1462.76021He, Ji-Huan; Sun, Chang 8 2019 New multistage two-step complete in phase scheme with improved properties for quantum chemistry problems. Zbl 1414.81088Hui, Fei; Simos, T. E. 7 2019 A new multistage multistep full in phase algorithm with optimized characteristics for problems in chemistry. Zbl 1414.81279Chen, Zhong; Liu, Chenglian; Hsu, Chieh-Wen; Simos, T. E. 7 2019 A four-stages multistep fraught in phase method for quantum chemistry problems. Zbl 1417.81170Alolyan, Ibraheem; Simos, T. E. 7 2019 New four stages multistep in phase algorithm with best possible properties for second order problems. Zbl 1414.81101Yang, Nan; Simos, T. E. 6 2019 A new four-stages two-step phase fitted scheme for problems in quantum chemistry. Zbl 1414.81281Hsu, Chieh-Wen; Lin, Chialiang; Liu, Chenglian; Simos, T. E. 6 2019 Inverse problem for Zagreb indices. Zbl 1414.92229Yurtas, Aysun; Togan, Muge; Lokesha, Veerebradiah; Cangul, Ismail Naci; Gutman, Ivan 5 2019 Review of recent applications of the conventional and derivative fast Padé transform for magnetic resonance spectroscopy. Zbl 1414.92155Belkić, Dževad; Belkić, Karen 4 2019 A fast-converging iterative scheme for solving a system of Lane-Emden equations arising in catalytic diffusion reactions. Zbl 1414.92236Madduri, Harshita; Roul, Pradip 4 2019 An optimal iterative algorithm for solving Bratu-type problems. Zbl 1433.65097Roul, Pradip; Madduri, Harshita 4 2019 Formula for calculating the Wiener polarity index with applications to benzenoid graphs and phenylenes. Zbl 1406.92787Tratnik, Niko 4 2019 Organization of the periodicity in the parameter-space of a glycolysis discrete-time mathematical model. Zbl 1414.92139Rech, Paulo C. 3 2019 Role of the structure of Boolean hypercubes when used as vectors in natural (Boolean) vector semispaces. Zbl 1414.92223Carbó-Dorca, Ramon 3 2019 A new mixed MADM-collocation approach for solving a class of Lane-Emden singular boundary value problems. Zbl 1414.92239Roul, Pradip 3 2019 The polymerase chain reaction model analyzed by the homotopy perturbation method. Zbl 1414.92142Fedorov, Alexey Alexandrovich; Berdnikov, Alexander S.; Kurochkin, Vladimir E. 3 2019 Symmetries, solutions and conservation laws for the \((2+1)\) filtration-absorption model. Zbl 1416.92196Garrido, T. M.; de la Rosa, R.; Recio, E.; Bruzón, M. S. 3 2019 Some results on lower bounds for topological indices. Zbl 1416.92189Martínez-Pérez, Álvaro; Rodríguez, José M. 3 2019 Numerical simulation for computational modelling of reaction-diffusion Brusselator model arising in chemical processes. Zbl 1406.92803Kumar, Sanjay; Jiwari, Ram; Mittal, R. C. 3 2019 Computational modeling of batch stirred tank reactor based on spherical catalyst particles. Zbl 1406.92264Baronas, Romas; Kulys, Juozas; Petkevičius, Linas 3 2019 On a structure-preserving matrix factorization for the determinants of cyclic pentadiagonal Toeplitz matrices. Zbl 07101118Jia, Ji-Teng 2 2019 Automatic self-correcting in signal processing for magnetic resonance spectroscopy: noise reduction, resolution improvement and splitting overlapped peaks. Zbl 1466.94011Belkić, Dževad; Belkić, Karen 2 2019 Hypercubes defined on \(n\)-ary sets, the Erdös-Faber-Lovász conjecture on graph coloring, and the description spaces of polypeptides and RNA. Zbl 1429.92112Carbó-Dorca, Ramon; Chakraborty, Tanmoy 2 2019 Computational multinomial combinatorics for colorings of 5D-hypercubes for all irreducible representations and applications. Zbl 1414.92220Balasubramanian, Krishnan 2 2019 Transformation of Boolean hypercube vertices into unit interval elements: QSPR workout consequences. Zbl 1414.92222Carbó-Dorca, Ramon 2 2019 Pseudospectral solution of the Schrödinger equation for the Rosen-Morse and Eckart potentials. Zbl 1414.81093Morrison, Conor L.; Shizgal, Bernard 2 2019 Two new topological indices based on graph adjacency matrix eigenvalues and eigenvectors. Zbl 1414.92227Rodríguez-Velázquez, Juan Alberto; Balaban, Alexandru T. 2 2019 Conservation laws and Lie symmetries a \((2+1)\)-dimensional thin film equation. Zbl 1417.35138Recio, Elena; Garrido, Tamara M.; de la Rosa, Rafael; Bruzón, María S. 2 2019 An efficient Hamiltonian numerical model for a fractional Klein-Gordon equation through weighted-shifted Grünwald differences. Zbl 1417.81128Hendy, Ahmed S.; Macías-Díaz, Jorge E. 2 2019 CMMSE 18: geometric-arithmetic index and line graph. Zbl 1416.92191Pestana, Domingo; Sigarreta, José M.; Tourís, Eva 2 2019 A robust domain decomposition method for singularly perturbed parabolic reaction-diffusion systems. Zbl 1415.65218Kumar, Sunil; Singh, Joginder; Kumar, Mukesh 2 2019 Chaotic behavior of the CML model with respect to the state and coupling parameters. Zbl 1425.37049Lampart, Marek; Martinovič, Tomáš 2 2019 All the trinomial roots, their powers and logarithms from the Lambert series, Bell polynomials and Fox-Wright function: illustration for genome multiplicity in survival of irradiated cells. Zbl 1406.92284Belkić, Dževad 2 2019 Distance-based topological indices of nanosheets, nanotubes and nanotori of SiO\(_2\). Zbl 1406.92735Arockiaraj, Micheal; Klavžar, Sandi; Mushtaq, Shagufa; Balasubramanian, Krishnan 2 2019 On a model for rotational tunneling with a \(C_{6}\)-space-time symmetric analog. Zbl 1422.81178Amore, Paolo; Fernández, Francisco M. 1 2019 Looking into the future of molecules with novel topological symmetries. Zbl 1421.92040Rosenfeld, Vladimir R. 1 2019 An efficient operational matrix method for the numerical solutions of the fractional Bagley-Torvik equation using wavelets. Zbl 1433.65143Balaji, S.; Hariharan, G. 1 2019 An efficient and fully explicit model to simulate delayed activator-inhibitor systems with anomalous diffusion. Zbl 1421.92042Macías-Díaz, Jorge E. 1 2019 Exact solutions of the sine hyperbolic type potential. Zbl 1422.81179Dong, Qian; Torres-Arenas, Ariadna J.; Sun, Guo-Hua; Camacho-Nieto, O.; Femmam, Smain; Dong, Shi-Hai 1 2019 Simulation of capacitive deionization accounting the change of Stern layer thickness. Zbl 1429.92152Tokmachev, M. G.; Tikhonov, N. A. 1 2019 Multi-objective optimization of chemical reaction conditions based on a kinetic model. Zbl 1414.92235Koledina, K. F.; Koledin, S. N.; Karpenko, A. P.; Gubaydullin, I. M.; Vovdenko, M. K. 1 2019 Full analytical solution of a nucleation-growth type kinetic model of nanoparticle formation. Zbl 1414.92240Szabó, Rebeka; Lente, Gábor 1 2019 When an oscillating center in an open system undergoes power law decay. Zbl 1414.92145Saha, Sandip; Gangopadhyay, Gautam 1 2019 A finite element approach to capture Turing patterns of autocatalytic Brusselator model. Zbl 1414.92241Yadav, Om Prakash; Jiwari, Ram 1 2019 Nonlinear supratransmission in fractional wave systems. Zbl 1414.92243Piña-Villalpando, Luis E.; Macías-Díaz, Jorge E.; Kurmyshev, Evguenii 1 2019 New multiple stages multistep method with best possible phase properties for second order initial/boundary value problems. Zbl 1414.81083Alolyan, Ibraheem; Simos, T. E. 1 2019 Topological melting in networks of granular materials. Zbl 1417.82007Alalwan, Najlaa; Arenas, Alex; Estrada, Ernesto 1 2019 Different methods for solving STEM problems. Zbl 1415.65124Argyros, Ioannis K.; Magreñán, Á. A.; Orcos, L.; Sarría, Íñígo; Sicilia, Juan Antonio 1 2019 Stability and applicability of iterative methods with memory. Zbl 1416.92194Chicharro, Francisco I.; Cordero, Alicia; Garrido, Neus; Torregrosa, Juan R. 1 2019 The noisy Pais-Uhlenbeck oscillator. Zbl 1417.81130Urenda-Cázares, E.; Espinoza, P. B.; Gallegos, A.; Jaimes-Reátegui, R.; Macías-Díaz, J. E.; Vargas-Rodríguez, H. 1 2019 Inequalities on the inverse degree index. Zbl 1416.92192Rodríguez, José M.; Sánchez, José L.; Sigarreta, José M. 1 2019 ...and 1100 more Documents all cited Publications top 5 cited Publications all top 5 Cited by 4,858 Authors 166 Simos, Theodore E. 67 Carbó-Dorca, Ramon 64 Zhang, Heping 46 Demiralp, Metin 45 Gutman, Ivan M. 34 Das, Kinkar Chandra 34 Nalewajski, Roman F. 33 Belkić, Dževad 32 Li, Shuchao 31 Zhou, Bo 30 Alolyan, Ibraheem 26 Belkić, Karen 26 Liu, Jia-bao 25 Chen, Lansun 25 Cordero, Alicia 25 Torregrosa Sanchez, Juan Ramón 24 Deng, Hanyuan 24 Rada, Juan 22 Došlić, Tomislav 21 Fang, Yonglei 20 Fujita, Shinsaku 20 Guseinov, I. 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