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Journal of Mathematical Chemistry

Short Title: J. Math. Chem.
Publisher: Springer International Publishing, Cham
ISSN: 0259-9791; 1572-8897/e
Online: http://link.springer.com/journal/volumesAndIssues/10910
Comments: Indexed cover-to-cover
Documents Indexed: 2,827 Publications (since 1994)
References Indexed: 2,417 Publications with 80,910 References.
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Latest Issues

60, No. 3 (2022)
60, No. 2 (2022)
60, No. 1 (2022)
59, No. 10 (2021)
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50, No. 10 (2012)
50, No. 9 (2012)
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50, No. 7 (2012)
50, No. 6 (2012)
50, No. 5 (2012)
50, No. 4 (2012)
...and 119 more Volumes
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Authors

149 Simos, Theodore E.
106 Carbó-Dorca, Ramon
43 Belkić, Dževad
41 Demiralp, Metin
35 Belkić, Karen
35 Nalewajski, Roman F.
33 Guseinov, I. I.
32 Mezey, Paul G.
30 Besalú, Emili
30 Fujita, Shinsaku
28 Alolyan, Ibraheem
27 Fernández, Francisco Marcelo
27 Gutman, Ivan M.
27 Ivanauskas, Feliksas
26 Lim, Teik-Cheng
25 Rabitz, Herschel A.
21 Castro, Eduardo A.
21 March, Norman H.
21 Zhang, Heping
20 Balasubramanian, Krishnan
20 Klein, Douglas J.
20 Mamedov, Bahtiyar A.
20 Rosenfeld, Vladimir Raphael
20 Zhou, Bo
19 Arimoto, Shigeru
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 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
14 Varon, Ramón
12 Chen, Lansun
12 Garcia-Moreno, Manuela
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 Cassam-Chenaï, Patrick
11 Deng, Hanyuan
11 Medvedev, Maxim A.
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 Karimi, Sasan
10 Kulys, Juozas
10 Lewinter, Marty
10 Li, Genyuan
10 Li, Ruifang
10 Lin, Chialiang
10 Rajendran, L.
10 Roul, Pradip
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 Paldus, Josef
9 Ramos, Higinio
9 Shang, Zhenfeng
9 Sicilia, Juan Antonio
9 Sigarreta Almira, José María
9 Singh, Randhir
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 Škrekovski, Riste
8 Szederkényi, Gábor
...and 2,868 more Authors
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Fields

1,623 Biology and other natural sciences (92-XX)
738 Quantum theory (81-XX)
463 Numerical analysis (65-XX)
407 Combinatorics (05-XX)
234 Ordinary differential equations (34-XX)
202 Statistical mechanics, structure of matter (82-XX)
199 Partial differential equations (35-XX)
112 Dynamical systems and ergodic theory (37-XX)
112 Classical thermodynamics, heat transfer (80-XX)
68 Statistics (62-XX)
64 Special functions (33-XX)
61 Linear and multilinear algebra; matrix theory (15-XX)
57 Probability theory and stochastic processes (60-XX)
51 Information and communication theory, circuits (94-XX)
44 Group theory and generalizations (20-XX)
42 Approximations and expansions (41-XX)
39 Optics, electromagnetic theory (78-XX)
36 Fluid mechanics (76-XX)
35 Operator theory (47-XX)
34 Convex and discrete geometry (52-XX)
30 Calculus of variations and optimal control; optimization (49-XX)
30 Computer science (68-XX)
30 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)
23 Harmonic analysis on Euclidean spaces (42-XX)
22 Operations research, mathematical programming (90-XX)
18 Number theory (11-XX)
18 Mechanics of deformable solids (74-XX)
17 Topological groups, Lie groups (22-XX)
17 Functional analysis (46-XX)
15 Integral transforms, operational calculus (44-XX)
15 Geometry (51-XX)
14 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 Mathematical logic and foundations (03-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 Associative rings and algebras (16-XX)
6 Measure and integration (28-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

Citations contained in zbMATH Open

1,760 Publications have been cited 12,450 times in 4,497 Documents Cited by Year
General foundations of high-dimensional model representations. Zbl 0957.93004
Rabitz, Herschel; Alış, Ömer F.
114
1999
Topological index based on the ratios of geometrical and arithmetical means of end-vertex degrees of edges. Zbl 1200.92054
Vukičević, Damir; Furtula, Boris
111
2009
A forgotten topological index. Zbl 1317.05031
Furtula, Boris; Gutman, Ivan
106
2015
On a novel connectivity index. Zbl 1197.92060
Zhou, Bo; Trinajstić, Nenad
101
2009
On general sum-connectivity index. Zbl 1195.92083
Zhou, Bo; Trinajstić, Nenad
97
2010
A new Numerov-type method for the numerical solution of the Schrödinger equation. Zbl 1183.81060
Simos, T. E.
92
2009
Trigonometrically fitted Runge-Kutta methods for the numerical solution of the Schrödinger equation. Zbl 1070.81035
Anastassi, Z. A.; Simos, T. E.
87
2005
A modified phase-fitted Runge-Kutta method for the numerical solution of the Schrödinger equation. Zbl 1003.65082
Simos, T. E.; Aguiar, Jesus Vigo
87
2001
Two optimized symmetric eight-step implicit methods for initial-value problems with oscillating solutions. Zbl 1198.81099
Panopoulos, G. A.; Anastassi, Z. A.; Simos, T. E.
85
2009
A Runge-Kutta type implicit high algebraic order two-step method with vanished phase-lag and its first, second, third and fourth derivatives for the numerical solution of coupled differential equations arising from the Schrödinger equation. Zbl 1318.65039
Mu, Kenan; Simos, T. E.
83
2015
Symmetric eighth algebraic order methods with minimal phase-lag for the numerical solution of the Schrödinger equation. Zbl 1002.65078
Simos, T. E.; Vigo-Aguiar, Jesus
82
2002
A new two-step hybrid method for the numerical solution of the Schrödinger equation. Zbl 1200.81051
Konguetsof, A.
81
2010
Family of twelve steps exponential fitting symmetric multistep methods for the numerical solution of the Schrödinger equation. Zbl 1014.81055
Vigo-Aguiar, J.; Simos, T. E.
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 1002.65077
Kalogiratou, Z.; Simos, T. E.
80
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 1349.65222
Zhou, Zhou; Simos, T. E.
79
2016
A new family of two stage symmetric two-step methods with vanished phase-lag and its derivatives for the numerical integration of the Schrödinger equation. Zbl 1329.65142
Hui, Fei; Simos, T. E.
78
2015
A family of multiderivative methods for the numerical solution of the Schrödinger equation. Zbl 1070.81045
Sakas, 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 1125.81017
Anastassi, 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 1078.65061
Avdelas, G.; Kefalidis, E.; Simos, T. E.
72
2002
Symplectic methods for the numerical solution of the radial Schrödinger equation. Zbl 1029.65134
Tselios, Kostas; Simos, T. E.
72
2003
Exponentially-fitted multiderivative methods for the numerical solution of the Schrödinger equation. Zbl 1050.65074
Simos, T. E.
72
2004
A new explicit Bessel and Neumann fitted eighth algebraic order method for the numerical solution of the Schrödinger equation. Zbl 1014.81012
Simos, T. E.
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 1022.81009
Avdelas, G.; Konguetsof, A.; Simos, T. E.
72
2001
Two-step high order hybrid explicit method for the numerical solution of the Schrödinger equation. Zbl 1198.81092
Konguetsof, A.
72
2010
High order closed Newton-Cotes exponentially and trigonometrically fitted formulae as multilayer symplectic integrators and their application to the radial Schrödinger equation. Zbl 1403.81016
Simos, T. E.
71
2012
A generator and an optimized generator of high-order hybrid explicit methods for the numerical solution of the Schrödinger equation. I: Development of the basic method. Zbl 1022.81008
Avdelas, G.; Konguetsof, A.; Simos, T. E.
71
2001
A family of trigonometrically-fitted symmetric methods for the efficient solution of the Schrödinger equation and related problems. Zbl 1029.65079
Simos, T. E.
70
2003
Augmented Zagreb index. Zbl 1196.92050
Furtula, Boris; Graovac, Ante; Vukičević, Damir
70
2010
Exponentially fitted symplectic methods for the numerical integration of the Schrödinger equation. Zbl 1073.65071
Monovasilis, 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 1070.81044
Psihoyios, 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 1270.81083
Simos, T. E.
67
2013
Trigonometrically fitted and exponentially fitted symplectic methods for the numerical integration of the Schrödinger equation. Zbl 1125.81021
Monovasilis, Th.; Kalogiratou, Z.; Monovasilis, Th.; Simos, T. E.
67
2006
Symplectic methods of fifth order for the numerical solution of the radial Schrödinger equation. Zbl 1044.81031
Tselios, Kostas; Simos, T. E.
65
2004
An explicit four-step method with vanished phase-lag and its first and second derivatives. Zbl 1297.65084
Simos, T. E.
64
2014
A low computational cost eight algebraic order hybrid method with vanished phase-lag and its first, second, third and fourth derivatives for the approximate solution of the Schrödinger equation. Zbl 1331.65098
Ning, Hang; Simos, T. E.
64
2015
The numerical solution of the radial Schrödinger equation via a trigonometrically fitted family of seventh algebraic order predictor-corrector methods. Zbl 1125.81022
Psihoyios, G.; Simos, T. E.
62
2006
A four-step exponentially fitted method for the numerical solution of the Schrödinger equation. Zbl 1125.81023
Simos, T. E.
61
2006
An economical eighth-order method for the approximation of the solution of the Schrödinger equation. Zbl 1422.65115
Wang, Zhiwei; Simos, T. E.
60
2017
A Runge-Kutta type four-step method with vanished phase-lag and its first and second derivatives for each level for the numerical integration of the Schrödinger equation. Zbl 1300.65050
Alolyan, Ibraheem; Simos, T. E.
59
2014
An optimized explicit Runge-Kutta method with increased phase-lag order for the numerical solution of the Schrödinger equation and related problems. Zbl 1200.81052
Kosti, A. A.; Anastassi, Z. A.; Simos, T. E.
57
2010
A family of two-stage two-step methods for the numerical integration of the Schrödinger equation and related IVPs with oscillating solution. Zbl 1198.81075
Anastassi, Z. A.; Simos, T. E.
57
2009
A unification of chirality measures. Zbl 0865.92026
Weinberg, Noham; Mislow, Kurt
56
1995
A family of explicit linear six-step methods with vanished phase-lag and its first derivative. Zbl 1301.65068
Alolyan, Ibraheem; Simos, T. E.
55
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 1307.65106
Alolyan, Ibraheem; Simos, T. E.
55
2014
A finite difference pair with improved phase and stability properties. Zbl 1384.65050
Yan, Ke; Simos, T. E.
54
2018
Efficient low computational cost hybrid explicit four-step method with vanished phase-lag and its first, second, third and fourth derivatives for the numerical integration of the Schrödinger equation. Zbl 1325.65099
Alolyan, Ibraheem; Simos, T. E.
54
2015
New second-order exponentially and trigonometrically fitted symplectic integrators for the numerical solution of the time-independent Schrödinger equation. Zbl 1132.81344
Monovasilis, Th.; Simos, T. E.
54
2007
A new explicit hybrid four-step method with vanished phase-lag and its derivatives. Zbl 1297.65085
Simos, T. E.
52
2014
Unicyclic graphs with minimal energy. Zbl 0977.05085
Hou, Yaoping
51
2001
Closed Newton-Cotes trigonometrically-fitted formulae of high order for the numerical integration of the Schrödinger equation. Zbl 1217.65054
Simos, T. E.
50
2008
A family of four-step trigonometrically-fitted methods and its application to the Schrödinger equation. Zbl 1217.65139
Simos, T. E.
49
2008
A new four stages symmetric two-step method with vanished phase-lag and its first derivative for the numerical integration of the Schrödinger equation. Zbl 1345.65048
Liang, Minjian; Simos, T. E.
48
2016
Some embedded modified Runge-Kutta methods for the numerical solution of some specific Schrödinger equations. Zbl 0915.65084
Simos, 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 1318.65042
Alolyan, Ibraheem; Simos, T. E.
47
2015
A high algebraic order predictor-corrector explicit method with vanished phase-lag and its first, second, third and fourth derivatives for the numerical solution of the Schrödinger equation and related problems. Zbl 1331.65093
Alolyan, Ibraheem; Simos, T. E.
47
2015
A high algebraic order multistage explicit four-step method with vanished phase-lag and its first, second, third, fourth and fifth derivatives for the numerical solution of the Schrödinger equation. Zbl 1325.65100
Alolyan, Ibraheem; Simos, T. E.
47
2015
Efficient implementation of high dimensional model representations. Zbl 1051.93502
Alis, Ömer F.; Rabitz, Herschel
45
2001
A new optimized symmetric 8-step semi-embedded predictor-corrector method for the numerical solution of the radial Schrödinger equation and related orbital problems. Zbl 1312.65117
Panopoulos, G. A.; Simos, T. E.
44
2013
Dynamic analysis of Michaelis-Menten chemostat-type competition models with time delay and pulse in a polluted environment. Zbl 1194.92075
Meng, Xinzhu; Li, Zhenqing; Nieto, Juan J.
43
2010
Cyclical edge-connectivity of fullerene graphs and \((k,6)\)-cages. Zbl 1018.92036
Došlić, Tomislav
42
2003
A two-step method with vanished phase-lag and its first two derivatives for the numerical solution of the Schrödinger equation. Zbl 1304.65177
Simos, T. E.
42
2011
A second-order scheme for the “Brusselator” reaction-diffusion system. Zbl 1016.92049
Twizell, E. H.; Gumel, A. B.; Cao, Q.
42
2000
Identifiability of chemical reaction networks. Zbl 1145.92040
Craciun, Gheorghe; Pantea, Casian
37
2008
A hybrid method with phase-lag and derivatives equal to zero for the numerical integration of the Schrödinger equation. Zbl 1304.65170
Konguetsof, A.
35
2011
A family of P-stable eighth algebraic order methods with exponential fitting facilities. Zbl 0995.81506
Aguiar, J. V.; Simos, T. E.
35
2001
Kinetic approach to chemical reactions and inelastic transitions in a rarefied gas. Zbl 1048.92502
Groppi, M.; Spiga, G.
35
1999
A new high algebraic order four stages symmetric two-step method with vanished phase-lag and its first and second derivatives for the numerical solution of the Schrödinger equation and related problems. Zbl 1360.65193
Xi, Xiaopeng; Simos, T. E.
35
2016
Solving coupled Lane-Emden boundary value problems in catalytic diffusion reactions by the Adomian decomposition method. Zbl 1311.92222
Rach, Randolph; Duan, Jun-Sheng; Wazwaz, Abdul-Majid
34
2014
Embedded eighth order methods for the numerical solution of the Schrödinger equation. Zbl 0954.65061
Avdelas, G.; Simos, T. E.
34
2000
Exponential Fitting method for the time-dependent Schrödinger equation. Zbl 1198.81100
Rizea, M.
34
2010
Monotone chemical reaction networks. Zbl 1117.80309
De Leenheer, Patrick; Angeli, David; Sontag, Eduardo D.
34
2007
Eighth order methods with minimal phase-lag for accurate computations for the elastic scattering phase-shift problem. Zbl 0900.81031
Simos, T. E.
33
1997
A family of \(P\)-stable exponentially-fitted methods for the numerical solution of the Schrödinger equation. Zbl 0954.65064
Simos, T. E.
33
1999
A generator of families of two-step numerical methods with free parameters and minimal phase-lag. Zbl 1421.65017
Konguetsof, A.
31
2017
The Estrada index of chemical trees. Zbl 1309.92085
Ilić, Aleksandar; Stevanović, Dragan
31
2010
Landscapes and their correlation functions. Zbl 1002.92547
Stadler, Peter F.
31
1996
High algebraic order methods with vanished phase-lag and its first derivative for the numerical solution of the Schrödinger equation. Zbl 1202.81027
Alolyan, Ibraheem; Simos, T. E.
31
2010
A three-stages multistep teeming in phase algorithm for computational problems in chemistry. Zbl 1417.81172
Medvedev, Maxim A.; Simos, T. E.
30
2019
On Harary index. Zbl 1217.05216
Zhou, Bo; Cai, Xiaochun; Trinajstić, Nenad
29
2008
Bounds for the Kirchhoff index via majorization techniques. Zbl 1327.05066
Bianchi, Monica; Cornaro, Alessandra; Palacios, José Luis; Torriero, Anna
29
2013
Numerical solution of the two-dimensional time independent Schrödinger equation with Numerov-type methods. Zbl 1077.65110
Kalogiratou, Z.; Monovasilis, Th.; Simos, T. E.
28
2005
High dimensional model representations generated from low dimensional data samples. I: mp-cut-HDMR. Zbl 1023.81521
Li, Genyuan; Wang, Sheng-Wei; Rosenthal, Carey; Rabitz, Herschel
28
2001
An efficient and computational effective method for second order problems. Zbl 1422.65113
Ma, Jing; Simos, T. E.
28
2017
On resistance-distance and Kirchhoff index. Zbl 1187.92092
Zhou, Bo; Trinajstić, Nenad
27
2009
Mulitstep methods with vanished phase-lag and its first and second derivatives for the numerical integration of the Schrödinger equation. Zbl 1202.81028
Alolyan, Ibraheem; Simos, T. E.
27
2010
Global stability of complex balanced mechanisms. Zbl 1012.92046
Siegel, D.; MacLean, D.
27
2000
An accomplished phase FD process for DEs in chemistry. Zbl 1429.81028
Medvedeva, Marina A.; Simos, T. E.
27
2019
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 1314.65099
Alolyan, Ibraheem; Simos, T. E.
26
2013
Dynamic behaviors of Monod type chemostat model with impulsive perturbation on the nutrient concentration. Zbl 1217.34125
Sun, Shulin; Chen, Lansun
26
2007
New upper bounds on Zagreb indices. Zbl 1200.92048
Das, Kinkar Ch.; Gutman, Ivan; Zhou, Bo
26
2009
Minimum general sum-connectivity index of unicyclic graphs. Zbl 1293.05048
Du, Zhibin; Zhou, Bo; Trinajstić, Nenad
26
2010
On minimal energy ordering of acyclic conjugated molecules. Zbl 1002.92570
Li, Huaien
26
1999
Bifurcation analysis of reaction-diffusion Schnakenberg model. Zbl 1320.92088
Liu, Ping; Shi, Junping; Wang, Yuwen; Feng, Xiuhong
26
2013
A four stages numerical pair with optimal phase and stability properties. Zbl 1384.65048
Kovalnogov, Vladislav N.; Fedorov, Ruslan V.; Golovanov, Viktor M.; Kostishko, Boris M.; Simos, T. E.
25
2018
Computing sparse and dense realizations of reaction kinetic systems. Zbl 1198.92052
Szederkényi, Gábor
25
2010
Graph cyclicity, excess conductance, and resistance deficit. Zbl 1008.05082
Klein, D. J.; Ivanciuc, O.
25
2002
New lower bound on the number of perfect matchings in fullerene graphs. Zbl 1003.92039
Zhang, Heping; Zhang, Fuji
25
2002
General formulation of HDMR component functions with independent and correlated variables. Zbl 1320.62232
Li, Genyuan; Rabitz, Herschel
25
2012
Shells, point cloud huts, generalized scalar products, cosines and similarity tensor representations in vector semispaces. Zbl 1238.92068
Carbó-Dorca, Ramon; Besalú, Emili
25
2012
On the permanental polynomials of some graphs. Zbl 1048.05062
Yan, Weigen; Zhang, Fuji
25
2004
A singularly P-stable two-step method with improved characteristics for problems in chemistry. Zbl 07464313
Medvedeva, Marina A.; Simos, T. E.
2
2022
A gecko-like fractal receptor of a three-dimensional printing technology: a fractal oscillator. Zbl 1466.92309
Zuo, Yuting
8
2021
Homotopy perturbation method with three expansions. Zbl 07346567
He, Ji-Huan; El-Dib, Yusry O.
7
2021
Extremal values of the Sombor index in unicyclic and bicyclic graphs. Zbl 1462.05071
Cruz, Roberto; Rada, Juan
6
2021
He-Laplace variational iteration method for solving the nonlinear equations arising in chemical kinetics and population dynamics. Zbl 1472.35009
Nadeem, Muhammad; He, Ji-Huan
6
2021
A new economical method with eliminated phase-lag and its derivative for problems in chemistry. Zbl 1466.65048
Ma, Yu-Yu; Lin, Chia-Liang; Simos, T. E.
6
2021
A new method with improved phase-lag and stability properties for problems in quantum chemistry - an economical case. Zbl 07382634
Li, Xingyuan; Lin, Chia-Liang; Simos, T. E.
3
2021
An economical two-step method with improved phase and stability properties for problems in chemistry. Zbl 1472.65084
Medvedeva, Marina A.; Simos, T. E.
3
2021
A new improved economical finite difference method for problems in quantum chemistry. Zbl 1472.65085
Mingliang, Zheng; Simos, T. E.
3
2021
Generalized scalar products in Minkowski metric spaces. Zbl 1467.51004
Carbó-Dorca, Ramon
3
2021
Derivative NMR spectroscopy for J-coupled multiplet resonances using short time signals (0.5 KB) encoded at low magnetic field strengths (1.5T). I: Water suppressed. Zbl 07346601
Belkić, Dževad; Belkić, Karen
3
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 07346602
Belkić, Dževad; Belkić, Karen
3
2021
In vivo derivative NMR spectroscopy for simultaneous improvements of resolution and signal-to-noise-ratio: case study, glioma. Zbl 1476.81164
Belkić, Dževad; Belkić, Karen
2
2021
A uniformly convergent quadratic B-spline collocation method for singularly perturbed parabolic partial differential equations with two small parameters. Zbl 1471.65164
Shivhare, Meenakshi; Podila, Pramod Chakravarthy; Kumar, Devendra
2
2021
A new spectral collocation method for solving Bratu-type equations using Genocchi polynomials. Zbl 07402269
Swaminathan, G.; Hariharan, G.; Selvaganesan, V.; Bharatwaja, S.
1
2021
Extended Minkowski spaces, zero norms, and Minkowski hypersurfaces. Zbl 07402272
Carbó-Dorca, Ramon; Chakraborty, Tanmoy
1
2021
Two-step method with vanished phase-lag and its derivatives for problems in quantum chemistry: an economical case. Zbl 1476.81166
Medvedev, Maxim A.; Simos, T. E.
1
2021
An economical two-step method with optimal phase and stability properties for problems in chemistry. Zbl 1476.81165
Medvedeva, Marina A.; Simos, T. E.
1
2021
Linear forms in logarithms and the mathematical method of Diophantine equations: applications in chemistry and physics. Zbl 07402278
Tiebekabe, Pagdame; Diouf, Ismaïla
1
2021
Minimum distance-unbalancedness of trees. Zbl 1462.92058
Kramer, Marie; Rautenbach, Dieter
1
2021
Differential transform method for the solutions to some initial value problems in chemistry. Zbl 1470.34006
Qin, Yupeng; Lou, Qingjun
1
2021
Numerical solution of system of Emden-Fowler type equations by Bernstein collocation method. Zbl 1471.65090
Shahni, Julee; Singh, Randhir
1
2021
Analytic properties of sextet polynomials of hexagonal systems. Zbl 1462.05188
Li, Guanru; Liu, Lily Li; Wang, Yi
1
2021
Positive equilibria of Hill-type kinetic systems. Zbl 1466.92303
Hernandez, Bryan S.; Mendoza, Eduardo R.
1
2021
The Tutte polynomials of catacondensed benzenoid systems. Zbl 1466.92282
Ren, Haizhen; Xu, Deqing; Yang, Weiling
1
2021
Nonexistence of local conservation laws for generalized Swift-Hohenberg equation. Zbl 1468.35009
Holba, Pavel
1
2021
Close-to-zero eigenvalues of the rooted product of graphs. Zbl 1478.92263
Rosenfeld, Vladimir R.; Yang, Yujun
1
2021
The spectrum of the vertex quadrangulation of a 4-regular toroidal graph and beyond. Zbl 1468.05251
Rosenfeld, Vladimir R.
1
2021
High-resolution at 3 T for in vivo derivative NMR spectroscopy in medical diagnostics of ovarian tumor: exact quantification by shape estimations. Zbl 1480.92110
Belkić, Dževad; Belkić, Karen
1
2021
A phase fitted FinDiff process for DifEquns in quantum chemistry. Zbl 1433.81079
Hao, Sheng; Simos, T. E.
24
2020
An integrated in phase FD procedure for DiffEqns in chemical problems. Zbl 1433.81081
Ma, Yu-Yu; Lin, Chia-Liang; Simos, T. E.
19
2020
A complete in phase FinitDiff procedure for DiffEquns in chemistry. Zbl 1433.81168
Tong, Xing; Simos, T. E.
19
2020
A phase fitted FiniteDiffr process for DiffrntEqutns in chemistry. Zbl 1440.65283
Chen, Xiaoping; Simos, T. E.
15
2020
Homotopy perturbation method for Fangzhu oscillator. Zbl 1470.34050
He, Ji-Huan; El-Dib, Yusry O.
14
2020
Full in phase finite difference algorithm for differential equations in quantum chemistry. Zbl 1440.65285
Zhao, Zhen; Luo, Jun; Lin, Chia-Liang; Simos, T. E.
12
2020
Extremal catacondensed benzenoids with respect to the Mostar index. Zbl 1443.05040
Deng, Kecai; Li, Shuchao
7
2020
A complete in phase FiniteDiffrnc algorithm for DiffrntEqutins in chemistry. Zbl 1440.65284
Lin, Chia-Liang; Simos, T. E.
7
2020
Phase fitted method for quantum chemistry problems. Zbl 1444.81038
Luo, Jun; Zhao, Zhen; Lin, Chia-Liang; Simos, T. E.
5
2020
Local convergence of fourth and fifth order parametric family of iterative methods in Banach spaces. Zbl 1477.65089
Maroju, P.; Magreñán, Á. A.; Sarría, Í.; Kumar, Abhimanyu
5
2020
Complete in phase method for problems in chemistry. Zbl 1471.65089
Lin, Chia-Liang; Simos, T. E.
4
2020
Feasibility study for applying the lower-order derivative fast Padé transform to measured time signals. Zbl 1455.94048
Belkić, Dževad; Belkić, Karen
4
2020
On the convergence of splitting algorithm for mixed equilibrium problems on Hadamard manifolds. Zbl 1433.90170
Khammahawong, K.; Kumam, P.; Chaipunya, P.
4
2020
Exact solution of Arrhenius equation for non-isothermal kinetics at constant heating rate and \(n\)-th order of reaction. Zbl 1437.92169
Elgendy, Abd Elfattah T.; Abdel-Aty, Abdel-Haleem; Youssef, Amr A.; Khder, Moaiad A. A.; Lotfy, Khaled; Owyed, Saud
4
2020
Phase fitted algorithm for problems in quantum chemistry. Zbl 1448.81484
Medvedeva, Marina A.; Simos, T. E.
3
2020
Discretization, bifurcation analysis and chaos control for Schnakenberg model. Zbl 1447.39008
Din, Qamar; Haider, Kamran
3
2020
A finite difference method with zero phase-lag and its derivatives for quantum chemistry problems. Zbl 1448.81315
Wang, Zenggui; Simos, T. E.
3
2020
A finite difference method with phase-lag and its derivatives equal to zero for problems in chemistry. Zbl 1448.65076
Medvedev, Maxim A.; Simos, T. E.
3
2020
Cantor-like transfinite sequences and Gödel-like incompleteness revealed by means of Mersenne transfinite dimensional Boolean hypercube concatenation. Zbl 1432.92112
Carbó-Dorca, Ramon
3
2020
Irreversible linear pathways in enzymatic reactions: analytical solution using the homotopy perturbation method. Zbl 1432.92042
Bayón, L.; Fortuny Ayuso, P.; Grau, J. M.; Ruiz, M. M.; Suárez, P. M.
3
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 1433.65135
Aarthika, K.; Shanthi, V.; Ramos, Higinio
3
2020
Lie symmetries and conservation laws for a generalized \((2+1)\)-dimensional nonlinear evolution equation. Zbl 1436.35023
Sáez, S.; de la Rosa, R.; Recio, E.; Garrido, T. M.; Bruzón, M. S.
3
2020
A Bessel collocation method for solving Bratu’s problem. Zbl 1448.65078
Roul, Pradip; Prasad Goura, V. M. K.
2
2020
Knot theory for proteins: Gauss codes, quandles and bondles. Zbl 1448.92157
Adams, Colin; Devadoss, Judah; Elhamdadi, Mohamed; Mashaghi, Alireza
2
2020
An iterative technique for solving a class of local and nonlocal elliptic boundary value problems. Zbl 1448.92402
Singh, Randhir
2
2020
The new class of multistep multiderivative hybrid methods for the numerical solution of chemical stiff systems of first order IVPs. Zbl 1448.92399
Khalsaraei, Mohammad Mehdizadeh; Shokri, Ali; Molayi, Maryam
2
2020
Fuzzy hypercubes and their time-like evolution. Zbl 1454.05079
Chang, Jing; Carbó-Dorca, Ramon
2
2020
A computational approach to multistationarity of power-law kinetic systems. Zbl 1432.92044
Hernandez, Bryan S.; Mendoza, Eduardo R.; de los Reyes V, Aurelio A.
2
2020
Mathematical modelling of pattern formation in activator-inhibitor reaction-diffusion systems with anomalous diffusion. Zbl 1432.92117
Datsko, B.; Kutniv, M.; Włoch, A.
2
2020
A sixth order optimal B-spline collocation method for solving Bratu’s problem. Zbl 1462.65094
Roul, Pradip; Goura, V. M. K. Prasad
2
2020
Computation of absolute radii of 103 elements of the periodic table in terms of nucleophilicity index. Zbl 1437.81207
Tandon, Hiteshi; Ranjan, Prabhat; Chakraborty, Tanmoy; Suhag, Vandana
2
2020
Induced \(H\)-packing \(k\)-partition number for certain nanotubes and chemical graphs. Zbl 1443.92201
Xavier, Antony; Theresal, Santiagu; Raja, S. Maria Jesu
2
2020
Packing stars in fullerenes. Zbl 1466.92258
Došlić, Tomislav; Taheri-Dehkordi, Meysam; Fath-Tabar, Gholam Hossein
2
2020
Modelling of the “surface explosion” of the \(\text{NO}+\text{H}_2\) reaction over supported catalysts. Zbl 1448.92403
Skakauskas, V.; Katauskis, P.
1
2020
A quantum similarity discussion about Einstein-Podolsky-Rosen (EPR) paradox in Gaussian enfolded spaces. Zbl 1448.81096
Chang, Jing; Carbó-Dorca, Ramon
1
2020
Two-point resistances in the generalized phenylenes. Zbl 1448.78040
Li, Qishun; Li, Shuchao; Zhang, Leilei
1
2020
On classes of reaction networks and their associated polynomial dynamical systems. Zbl 1448.92397
Anderson, David F.; Brunner, James D.; Craciun, Gheorghe; Johnston, Matthew D.
1
2020
Kudryashov and Sinelshchikov’s method for solving the radial oscillation problem of multielectron bubbles in liquid helium. Zbl 1447.82036
Qin, Yupeng; Lou, Qingjun; Wang, Zhen; Zou, Li
1
2020
Upper and lower bounds to atomic radial position moments. Zbl 1433.81167
Marmorino, M. G.
1
2020
Enumeration of relativistic states for superheavy and transactinide dimers in the periodic table. Zbl 1433.81163
Balasubramanian, Krishnan
1
2020
Mean-based iterative methods for solving nonlinear chemistry problems. (CMMSE-2019 mean-based iterative methods for solving nonlinear chemistry problems.) Zbl 1432.92115
Chicharro, 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 1440.65126
Rao, S. Chandra Sekhara; Kumar, Sunil; Singh, Joginder
1
2020
CMMSE 2019: an explicit algorithm for the simulation of non-isothermal multiphase multicomponent flow in a porous medium. Zbl 1430.76449
Trapeznikova, Marina; Churbanova, Natalia; Lyupa, Anastasia
1
2020
Relations between some topological indices and the line graph. Zbl 1432.92111
Carballosa, Walter; Granados, Ana; Pestana, Domingo; Portilla, Ana; Sigarreta, José M.
1
2020
Approximation of generalized offset surfaces by bicubic splines. Zbl 1477.65031
Akhrif, R.; Kouibia, A.; Pasadas, M.
1
2020
Weaker conditions for inexact mutitpoint Newton-like methods. Zbl 1433.65092
Argyros, 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 1437.92170
Raychaudhury, Chandan; Pal, Debnath
1
2020
On an alternative formulation of the thermodynamic stability condition. Zbl 1439.80001
Gromov, Dmitry; Toikka, Alexander
1
2020
Steady-state concentrations of carbon dioxide absorbed into phenyl glycidyl ether solutions by residual method. Zbl 1443.92203
Saranya, K.; Mohan, V.; Rajendran, L.
1
2020
Hamiltonian thermodynamics in the extended phase space: a unifying theory for non-linear molecular dynamics and classical thermodynamics. Zbl 1448.80005
Farantos, Stavros C.
1
2020
On a flexible extended homotopy perturbation method and its applications in applied chemistry. Zbl 1443.92204
Sayevand, K.
1
2020
Nice pairs of odd cycles in fullerene graphs. Zbl 1466.92257
Došlić, Tomislav
1
2020
Symmetry analysis of a generalized 2D Zakharov-Kuznetsov-Burgers equation with a variable dissipation. Zbl 1467.35024
Sáez, S.
1
2020
A three-stages multistep teeming in phase algorithm for computational problems in chemistry. Zbl 1417.81172
Medvedev, Maxim A.; Simos, T. E.
30
2019
An accomplished phase FD process for DEs in chemistry. Zbl 1429.81028
Medvedeva, Marina A.; Simos, T. E.
27
2019
A multistage two-step fraught in phase scheme for problems in mathematical chemistry. Zbl 1436.65086
Xu, Mingfei; Simos, T. E.
24
2019
Taylor series solution for Lane-Emden equation. Zbl 1429.34027
He, Ji-Huan; Ji, Fei-Yu
21
2019
A Runge-Kutta type crowded in phase algorithm for quantum chemistry problems. Zbl 1422.81180
Lv, Jieyin; Simos, T. E.
19
2019
A variational principle for a thin film equation. Zbl 1462.76021
He, Ji-Huan; Sun, Chang
19
2019
A multiple stage absolute in phase scheme for chemistry problems. Zbl 1426.81059
Zhang, Xunying; Simos, T. E.
17
2019
A perfect in phase FD algorithm for problems in quantum chemistry. Zbl 1426.81058
Qiu, 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 1414.81100
Wang, Guiping; Simos, T. E.
13
2019
A fast-converging iterative scheme for solving a system of Lane-Emden equations arising in catalytic diffusion reactions. Zbl 1414.92236
Madduri, Harshita; Roul, Pradip
10
2019
A new multistep method with optimized characteristics for initial and/or boundary value problems. Zbl 1406.81027
Qiu, Guo-Hua; Liu, Chenglian; Simos, T. E.
10
2019
A new mixed MADM-collocation approach for solving a class of Lane-Emden singular boundary value problems. Zbl 1414.92239
Roul, Pradip
8
2019
Numerical simulation for computational modelling of reaction-diffusion Brusselator model arising in chemical processes. Zbl 1406.92803
Kumar, Sanjay; Jiwari, Ram; Mittal, R. C.
8
2019
A four-stages multistep fraught in phase method for quantum chemistry problems. Zbl 1417.81170
Alolyan, Ibraheem; Simos, T. E.
7
2019
New multistage two-step complete in phase scheme with improved properties for quantum chemistry problems. Zbl 1414.81088
Hui, Fei; Simos, T. E.
7
2019
A new multistage multistep full in phase algorithm with optimized characteristics for problems in chemistry. Zbl 1414.81279
Chen, Zhong; Liu, Chenglian; Hsu, Chieh-Wen; Simos, T. E.
7
2019
A formula with its applications on the difference of Zagreb indices of graphs. Zbl 1416.92193
Xu, Kexiang; Gao, Fang; Das, Kinkar Chandra; Trinajstić, Nenad
6
2019
Review of recent applications of the conventional and derivative fast Padé transform for magnetic resonance spectroscopy. Zbl 1414.92155
Belkić, Dževad; Belkić, Karen
6
2019
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Cited by 5,470 Authors

173 Simos, Theodore E.
74 Carbó-Dorca, Ramon
67 Zhang, Heping
53 Gutman, Ivan M.
46 Demiralp, Metin
36 Belkić, Dževad
36 Das, Kinkar Chandra
34 Li, Shuchao
34 Nalewajski, Roman F.
32 Liu, Jia-bao
32 Zhou, Bo
30 Alolyan, Ibraheem
29 Belkić, Karen
29 Rada, Juan
28 Cordero, Alicia
28 Farahani, Mohammad Reza
28 Torregrosa Sanchez, Juan Ramón
25 Chen, Lansun
25 Deng, Hanyuan
25 Došlić, Tomislav
22 Imran, Muhammad
21 Fang, Yonglei
21 You, Xiong
20 Ashrafi, Ali Reza
20 Fujita, Shinsaku
20 Guseinov, I. I.
20 Li, Xueliang
20 Milovanović, Emina I.
20 Milovanović, Igor Ž.
20 Rabitz, Herschel A.
20 Roul, Pradip
20 Sever, Ramazan
18 Behl, Ramandeep
18 Jia, Jiteng
18 Vigo-Aguiar, Jesus
17 Craciun, Gheorghe
17 Du, Zhibin
17 Hua, Hongbo
17 Ikhdair, Sameer M.
17 Ivanauskas, Feliksas
17 Rosenfeld, Vladimir Raphael
17 Sigarreta Almira, José María
17 Zhang, Fuji
17 Zhang, Tonghua
16 Ali, Akbar
16 Škrekovski, Riste
16 Spiga, Giampiero
16 Szederkényi, Gábor
15 Bersani, Alberto Maria
15 Besalú, Emili
15 Macías-Díaz, Jorge Eduardo
15 Matejić, Marjan M.
15 Mezey, Paul G.
15 Paternoster, Beatrice
15 Rodríguez García, José Manuel
14 Balasubramanian, Krishnan
14 Din, Qamar
14 Klein, Douglas J.
14 Liu, Zhijun
14 Singh, Randhir
14 Trinajstić, Nenad
14 Wu, Tingzeng
14 Xu, Kexiang
13 Anastassi, Zacharias A.
13 Bisi, Marzia
13 Dehmer, Matthias
13 Diudea, Mircea V.
13 Furtula, Boris
13 Klavžar, Sandi
13 Mamedov, Bahtiyar A.
13 Meng, Xinzhu
13 Shi, Yongtang
13 Tsitouras, Charalampos
13 Yan, Weigen
13 Ye, Dong
13 Yuan, Sanling
13 Zhu, Lemin
12 Akhter, Shehnaz
12 Argyros, Ioannis Konstantinos
12 Arimoto, Shigeru
12 D’Ambrosio, Raffaele
12 Gao, Wei
12 Johnston, Matthew D.
12 Lim, Teik-Cheng
12 Liu, Muhuo
12 Medvedev, Maxim A.
12 Pan, Xiangfeng
12 Ramos, Higinio
11 Baronas, Romas
11 Chowdhury, Rajib
11 Groppi, Maria
11 Gubernov, Vladimir Vladimirovich
11 Hangos, Katalin Mária
11 Huang, Xuncheng
11 Kardoš, František
11 Li, Risong
11 Li, Zuxiong
11 Lin, Chialiang
11 Palacios, Jose Luis
11 Sidhu, Harvinder Singh
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Cited in 466 Journals

1,328 Journal of Mathematical Chemistry
236 Applied Mathematics and Computation
200 Discrete Applied Mathematics
101 Journal of Computational and Applied Mathematics
87 Linear Algebra and its Applications
53 Applied Mathematics Letters
47 Computers & Mathematics with Applications
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42 International Journal of Applied and Computational Mathematics
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40 Journal of Applied Mathematics and Computing
38 Discrete Mathematics
36 International Journal of Computer Mathematics
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33 Discrete Dynamics in Nature and Society
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27 Chaos, Solitons and Fractals
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20 Mathematics and Computers in Simulation
20 Iranian Journal of Mathematical Chemistry
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19 Discrete Mathematics, Algorithms and Applications
18 International Journal of Biomathematics
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14 Hacettepe Journal of Mathematics and Statistics
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7 Systems & Control Letters
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4 Potential theory (31-XX)
4 Abstract harmonic analysis (43-XX)
3 Field theory and polynomials (12-XX)
3 Nonassociative rings and algebras (17-XX)
3 Algebraic topology (55-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