Journal of Mathematical Chemistry Short Title: J. Math. Chem. Publisher: Springer International Publishing, Cham ISSN: 0259-9791; 1572-8897/e Online: https://link.springer.com/journal/10910/volumes-and-issues Comments: Journal; Indexed cover-to-cover Documents Indexed: 3,109 Publications (since 1994) References Indexed: 2,711 Publications with 94,120 References. all top 5 Latest Issues 62, No. 9 (2024) 62, No. 8 (2024) 62, No. 7 (2024) 62, No. 6 (2024) 62, No. 5 (2024) 62, No. 4 (2024) 62, No. 3 (2024) 62, No. 2 (2024) 62, No. 1 (2024) 61, No. 10 (2023) 61, No. 9 (2023) 61, No. 8 (2023) 61, No. 7 (2023) 61, No. 6 (2023) 61, No. 5 (2023) 61, No. 4 (2023) 61, No. 3 (2023) 61, No. 2 (2023) 61, No. 1 (2023) 60, No. 10 (2022) 60, No. 9 (2022) 60, No. 8 (2022) 60, No. 7 (2022) 60, No. 6 (2022) 60, No. 5 (2022) 60, No. 4 (2022) 60, No. 3 (2022) 60, No. 2 (2022) 60, No. 1 (2022) 59, No. 10 (2021) 59, No. 9 (2021) 59, No. 8 (2021) 59, No. 7 (2021) 59, No. 6 (2021) 59, No. 5 (2021) 59, No. 4 (2021) 59, No. 3 (2021) 59, No. 2 (2021) 59, No. 1 (2021) 58, No. 10 (2020) 58, No. 9 (2020) 58, No. 8 (2020) 58, No. 7 (2020) 58, No. 6 (2020) 58, No. 5 (2020) 58, No. 4 (2020) 58, No. 3 (2020) 58, No. 2 (2020) 58, No. 1 (2020) 57, No. 10 (2019) 57, No. 9 (2019) 57, No. 8 (2019) 57, No. 7 (2019) 57, No. 6 (2019) 57, No. 5 (2019) 57, No. 4 (2019) 57, No. 3 (2019) 57, No. 2 (2019) 57, No. 1 (2019) 56, No. 10 (2018) 56, No. 9 (2018) 56, No. 8 (2018) 56, No. 7 (2018) 56, No. 6 (2018) 56, No. 5 (2018) 56, No. 4 (2018) 56, No. 3 (2018) 56, No. 2 (2018) 56, No. 1 (2018) 55, No. 10 (2017) 55, No. 9 (2017) 55, No. 8 (2017) 55, No. 7 (2017) 55, No. 6 (2017) 55, No. 5 (2017) 55, No. 4 (2017) 55, No. 3 (2017) 55, No. 2 (2017) 55, No. 1 (2017) 54, No. 10 (2016) 54, No. 9 (2016) 54, No. 8 (2016) 54, No. 7 (2016) 54, No. 6 (2016) 54, No. 5 (2016) 54, No. 4 (2016) 54, No. 3 (2016) 54, No. 2 (2016) 54, No. 1 (2016) 53, No. 10 (2015) 53, No. 9 (2015) 53, No. 8 (2015) 53, No. 7 (2015) 53, No. 6 (2015) 53, No. 5 (2015) 53, No. 4 (2015) 53, No. 3 (2015) 53, No. 2 (2015) 53, No. 1 (2015) 52, No. 10 (2014) ...and 145 more Volumes all top 5 Authors 166 Simos, Theodore E. 112 Carbó-Dorca, Ramon 54 Belkić, Dževad 41 Belkić, Karen 41 Demiralp, Metin 35 Nalewajski, Roman F. 33 Fujita, Shinsaku 33 Guseinov, Israfil I. 32 Fernández, Francisco Marcelo 32 Mezey, Paul G. 30 Besalú, Emili 29 Gutman, Ivan M. 28 Alolyan, Ibraheem 28 Ivanauskas, Feliksas. F. 27 Balasubramanian, Krishnan 26 Lim, Teik-Cheng 25 Rabitz, Herschel A. 23 Vigo-Aguiar, Jesus 23 Zhang, Heping 21 Castro, Eduardo A. 21 Klein, Douglas J. 21 Lin, Chialiang 21 March, Norman H. 21 Rosenfeld, Vladimir Raphael 20 Mamedov, Bahtiyar A. 20 Zhou, Bo 19 Arimoto, Shigeru 19 Fang, Yonglei 19 Sever, Ramazan 19 Trinajstić, Nenad 18 Došlić, Tomislav 18 Marmorino, M. G. 18 Vukičević, Damir 17 Bucknum, Michael John 17 Diudea, Mircea V. 17 Zhang, Fuji 16 Berberan-Santos, Mário N. 15 Cordero, Alicia 15 Magreñán, Ángel Alberto 15 Merkin, John H. 15 Roul, Pradip 15 Torregrosa Sanchez, Juan Ramón 14 Baronas, Romas 14 Jia, Jiteng 14 Randić, Milan 14 Varon, Ramón 13 Macías-Díaz, Jorge Eduardo 13 Sigarreta Almira, José María 12 Ayers, Paul W. 12 Cassam-Chenaï, Patrick 12 Chen, Lansun 12 Garcia-Moreno, Manuela 12 Hill, James Murray 12 Medvedev, Maxim A. 12 Strekalov, Mikhail L. 11 Argyros, Ioannis Konstantinos 11 Baowan, Duangkamon 11 Deng, Hanyuan 11 Flores-Gallegos, Nelson 11 Li, Genyuan 11 Medvedeva, Marina A. 11 Pogliani, Lionello 11 Ramos, Higinio 11 Sidhu, Harvinder Singh 11 Wang, Guichang 11 Xu, Xiufang 11 Zhao, Xuezhuang 11 Živković, Tomislav P. 10 Anastassi, Zacharias A. 10 Balaban, Alexandru T. 10 Karimi, Sasan 10 Kulys, Juozas 10 Lewinter, Marty 10 Li, Ruifang 10 Mendoza, Eduardo R. 10 Rajendran, L. 10 Rodríguez García, José Manuel 10 Skakauskas, Vladas 10 Taşeli, Hasan 10 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 Shang, Zhenfeng 9 Sicilia, Juan Antonio 9 Singh, Randhir 9 Suárez, Pedro Maria 9 Szederkényi, Gábor 9 Temme, F. P. 9 Tikhonov, Nikolaï A. 8 Arteca, Gustavo A. 8 Banerjee, Kinshuk 8 Brinkmann, Gunnar 8 Chakraborty, Tanmoy 8 Chauvin, Remi 8 Cox, Barry James ...and 3,252 more Authors all top 5 Fields 1,740 Biology and other natural sciences (92-XX) 818 Quantum theory (81-XX) 555 Numerical analysis (65-XX) 444 Combinatorics (05-XX) 272 Ordinary differential equations (34-XX) 255 Partial differential equations (35-XX) 230 Statistical mechanics, structure of matter (82-XX) 132 Classical thermodynamics, heat transfer (80-XX) 126 Dynamical systems and ergodic theory (37-XX) 82 Statistics (62-XX) 74 Special functions (33-XX) 73 Linear and multilinear algebra; matrix theory (15-XX) 70 Probability theory and stochastic processes (60-XX) 70 Information and communication theory, circuits (94-XX) 52 Fluid mechanics (76-XX) 50 Optics, electromagnetic theory (78-XX) 47 Group theory and generalizations (20-XX) 46 Approximations and expansions (41-XX) 46 Operator theory (47-XX) 45 Mechanics of particles and systems (70-XX) 37 Computer science (68-XX) 36 Convex and discrete geometry (52-XX) 32 Calculus of variations and optimal control; optimization (49-XX) 30 Systems theory; control (93-XX) 27 Harmonic analysis on Euclidean spaces (42-XX) 26 Manifolds and cell complexes (57-XX) 25 General and overarching topics; collections (00-XX) 25 Operations research, mathematical programming (90-XX) 24 Number theory (11-XX) 24 Real functions (26-XX) 24 Mechanics of deformable solids (74-XX) 20 Topological groups, Lie groups (22-XX) 20 Functional analysis (46-XX) 17 Integral transforms, operational calculus (44-XX) 16 Geometry (51-XX) 15 Integral equations (45-XX) 12 Difference and functional equations (39-XX) 11 Global analysis, analysis on manifolds (58-XX) 10 Measure and integration (28-XX) 9 Mathematical logic and foundations (03-XX) 9 Algebraic geometry (14-XX) 9 Functions of a complex variable (30-XX) 9 Differential geometry (53-XX) 8 Sequences, series, summability (40-XX) 8 General topology (54-XX) 8 Relativity and gravitational theory (83-XX) 7 Order, lattices, ordered algebraic structures (06-XX) 7 Astronomy and astrophysics (85-XX) 6 Associative rings and algebras (16-XX) 6 Potential theory (31-XX) 6 Game theory, economics, finance, and other social and behavioral sciences (91-XX) 5 Nonassociative rings and algebras (17-XX) 4 History and biography (01-XX) 4 Commutative algebra (13-XX) 4 Geophysics (86-XX) 3 Several complex variables and analytic spaces (32-XX) 2 Abstract harmonic analysis (43-XX) 2 Algebraic topology (55-XX) 1 Category theory; homological algebra (18-XX) 1 \(K\)-theory (19-XX) 1 Mathematics education (97-XX) Publications by Year all cited Publications top 5 cited Publications Citations contained in zbMATH Open 2,083 Publications have been cited 16,221 times in 6,245 Documents Cited by ▼ Year ▼ A forgotten topological index. Zbl 1317.05031 Furtula, Boris; Gutman, Ivan 198 2015 Topological index based on the ratios of geometrical and arithmetical means of end-vertex degrees of edges. Zbl 1200.92054 Vukičević, Damir; Furtula, Boris 170 2009 On a novel connectivity index. Zbl 1197.92060 Zhou, Bo; Trinajstić, Nenad 155 2009 On general sum-connectivity index. Zbl 1195.92083 Zhou, Bo; Trinajstić, Nenad 148 2010 General foundations of high-dimensional model representations. Zbl 0957.93004 Rabitz, Herschel; Alış, Ömer F. 137 1999 Augmented Zagreb index. Zbl 1196.92050 Furtula, Boris; Graovac, Ante; Vukičević, Damir 104 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 1318.65039 Mu, Kenan; Simos, T. E. 102 2015 A new two-step hybrid method for the numerical solution of the Schrödinger equation. Zbl 1200.81051 Konguetsof, A. 100 2010 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. 99 2016 A new Numerov-type method for the numerical solution of the Schrödinger equation. Zbl 1183.81060 Simos, T. E. 97 2009 A modified phase-fitted Runge-Kutta method for the numerical solution of the Schrödinger equation. Zbl 1003.65082 Simos, T. E.; Aguiar, Jesus Vigo 95 2001 A new 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. 95 2015 A family of two-stage two-step methods for the numerical integration of the Schrödinger equation and related IVPs with oscillating solution. Zbl 1198.81075 Anastassi, Z. A.; Simos, T. E. 94 2009 Trigonometrically fitted Runge-Kutta methods for the numerical solution of the Schrödinger equation. Zbl 1070.81035 Anastassi, Z. A.; Simos, T. E. 91 2005 Symmetric eighth algebraic order methods with minimal phase-lag for the numerical solution of the Schrödinger equation. Zbl 1002.65078 Simos, T. E.; Vigo-Aguiar, Jesus 91 2002 Two-step high order hybrid explicit method for the numerical solution of the Schrödinger equation. Zbl 1198.81092 Konguetsof, A. 91 2010 Two optimized symmetric eight-step implicit methods for initial-value problems with oscillating solutions. Zbl 1198.81099 Panopoulos, G. A.; Anastassi, Z. A.; Simos, T. E. 86 2009 Family of twelve steps exponential fitting symmetric multistep methods for the numerical solution of the Schrödinger equation. Zbl 1014.81055 Vigo-Aguiar, J.; Simos, T. E. 84 2002 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. 81 2015 Construction of trigonometrically and exponentially fitted Runge–Kutta–Nyström methods for the numerical solution of the Schrödinger equation and related problems – a method of 8th algebraic order. Zbl 1002.65077 Kalogiratou, Z.; Simos, T. E. 81 2002 An economical eighth-order method for the approximation of the solution of the Schrödinger equation. Zbl 1422.65115 Wang, Zhiwei; Simos, T. E. 80 2017 A family of multiderivative methods for the numerical solution of the Schrödinger equation. Zbl 1070.81045 Sakas, D. P.; Simos, T. E. 77 2005 A family of exponentially-fitted Runge-Kutta methods with exponential order up to three for the numerical solution of the Schrödinger equation. Zbl 1125.81017 Anastassi, Z. A.; Simos, T. E. 76 2007 High order closed Newton-Cotes exponentially and trigonometrically fitted formulae as multilayer symplectic integrators and their application to the radial Schrödinger equation. Zbl 1403.81016 Simos, T. E. 76 2012 Exponentially-fitted multiderivative methods for the numerical solution of the Schrödinger equation. Zbl 1050.65074 Simos, T. E. 75 2004 A new explicit Bessel and Neumann fitted eighth algebraic order method for the numerical solution of the Schrödinger equation. Zbl 1014.81012 Simos, T. E. 74 2000 Symplectic methods for the numerical solution of the radial Schrödinger equation. Zbl 1029.65134 Tselios, Kostas; Simos, T. E. 74 2003 Exponentially fitted symplectic methods for the numerical integration of the Schrödinger equation. Zbl 1073.65071 Monovasilis, Th.; Kalogiratou, Z.; Simos, T. E. 73 2005 A generator and an optimized generator of high-order hybrid explicit methods for the numerical solution of the Schrödinger equation. II: Development of the generator, optimization of the generator and numerical results. Zbl 1022.81009 Avdelas, G.; Konguetsof, A.; Simos, T. E. 73 2001 New P-stable eighth algebraic order exponentially-fitted methods for the numerical integration of the Schrödinger equation. Zbl 1078.65061 Avdelas, G.; Kefalidis, E.; Simos, T. E. 73 2002 A family of trigonometrically-fitted symmetric methods for the efficient solution of the Schrödinger equation and related problems. Zbl 1029.65079 Simos, T. E. 72 2003 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 New high order multiderivative explicit four-step methods with vanished phase-lag and its derivatives for the approximate solution of the Schrödinger equation. I: construction and theoretical analysis. Zbl 1270.81083 Simos, T. E. 71 2013 A finite difference pair with improved phase and stability properties. Zbl 1384.65050 Yan, Ke; Simos, T. E. 71 2018 Sixth algebraic order trigonometrically fitted predictor-corrector methods for the numerical solution of the radial Schrödinger equation. Zbl 1070.81044 Psihoyios, G.; Simos, T. E. 70 2005 Trigonometrically fitted and exponentially fitted symplectic methods for the numerical integration of the Schrödinger equation. Zbl 1125.81021 Monovasilis, Th.; Kalogiratou, Z.; Monovasilis, Th.; Simos, T. E. 69 2006 Symplectic methods of fifth order for the numerical solution of the radial Schrödinger equation. Zbl 1044.81031 Tselios, Kostas; Simos, T. E. 68 2004 An explicit four-step method with vanished phase-lag and its first and second derivatives. Zbl 1297.65084 Simos, T. E. 64 2014 A Runge-Kutta type four-step method with vanished phase-lag and its first and second derivatives for each level for the numerical integration of the Schrödinger equation. Zbl 1300.65050 Alolyan, Ibraheem; Simos, T. E. 62 2014 The numerical solution of the radial Schrödinger equation via a trigonometrically fitted family of seventh algebraic order predictor-corrector methods. Zbl 1125.81022 Psihoyios, G.; Simos, T. E. 62 2006 New second-order exponentially and trigonometrically fitted symplectic integrators for the numerical solution of the time-independent Schrödinger equation. Zbl 1132.81344 Monovasilis, Th.; Simos, T. E. 62 2007 A four-step exponentially fitted method for the numerical solution of the Schrödinger equation. Zbl 1125.81023 Simos, T. E. 61 2006 A hybrid type four-step method with vanished phase-lag and its first, second and third derivatives for each level for the numerical integration of the Schrödinger equation. Zbl 1307.65106 Alolyan, Ibraheem; Simos, T. E. 57 2014 An optimized explicit Runge-Kutta method with increased phase-lag order for the numerical solution of the Schrödinger equation and related problems. Zbl 1200.81052 Kosti, A. A.; Anastassi, Z. A.; Simos, T. E. 57 2010 A family of explicit linear six-step methods with vanished phase-lag and its first derivative. Zbl 1301.65068 Alolyan, Ibraheem; Simos, T. E. 56 2014 Efficient low computational cost hybrid explicit four-step method with vanished phase-lag and its first, second, third and fourth derivatives for the numerical integration of the Schrödinger equation. Zbl 1325.65099 Alolyan, Ibraheem; Simos, T. E. 55 2015 Unicyclic graphs with minimal energy. Zbl 0977.05085 Hou, Yaoping 55 2001 Closed Newton-Cotes trigonometrically-fitted formulae of high order for the numerical integration of the Schrödinger equation. Zbl 1217.65054 Simos, T. E. 54 2008 Cyclical edge-connectivity of fullerene graphs and \((k,6)\)-cages. Zbl 1018.92036 Došlić, Tomislav 53 2003 A unification of chirality measures. Zbl 0865.92026 Weinberg, Noham; Mislow, Kurt 52 1995 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 52 2014 A new explicit hybrid four-step method with vanished phase-lag and its derivatives. Zbl 1297.65085 Simos, T. E. 52 2014 Identifiability of chemical reaction networks. Zbl 1145.92040 Craciun, Gheorghe; Pantea, Casian 52 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. 52 2011 Kinetic approach to chemical reactions and inelastic transitions in a rarefied gas. Zbl 1048.92502 Groppi, M.; Spiga, G. 52 1999 A family of four-step trigonometrically-fitted methods and its application to the Schrödinger equation. Zbl 1217.65139 Simos, T. E. 51 2008 Exponential Fitting method for the time-dependent Schrödinger equation. Zbl 1198.81100 Rizea, M. 51 2010 A new four stages symmetric two-step method with vanished phase-lag and its first derivative for the numerical integration of the Schrödinger equation. Zbl 1345.65048 Liang, Minjian; Simos, T. E. 50 2016 A second-order scheme for the “Brusselator” reaction-diffusion system. Zbl 1016.92049 Twizell, E. H.; Gumel, A. B.; Cao, Q. 49 2000 A generator of families of two-step numerical methods with free parameters and minimal phase-lag. Zbl 1421.65017 Konguetsof, A. 49 2017 A high algebraic order multistage explicit four-step method with vanished phase-lag and its first, second, third, fourth and fifth derivatives for the numerical solution of the Schrödinger equation. Zbl 1325.65100 Alolyan, Ibraheem; Simos, T. E. 48 2015 Efficient implementation of high dimensional model representations. Zbl 1051.93502 Alis, Ömer F.; Rabitz, Herschel 48 2001 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 Some embedded modified Runge-Kutta methods for the numerical solution of some specific Schrödinger equations. Zbl 0915.65084 Simos, T. E. 47 1998 A high algebraic order predictor-corrector explicit method with vanished phase-lag and its first, second, third and fourth derivatives for the numerical solution of the Schrödinger equation and related problems. Zbl 1331.65093 Alolyan, Ibraheem; Simos, T. E. 47 2015 Dynamic analysis of Michaelis-Menten chemostat-type competition models with time delay and pulse in a polluted environment. Zbl 1194.92075 Meng, Xinzhu; Li, Zhenqing; Nieto, Juan J. 46 2010 A three-stages multistep teeming in phase algorithm for computational problems in chemistry. Zbl 1417.81172 Medvedev, Maxim A.; Simos, T. E. 46 2019 A two-step method with vanished phase-lag and its first two derivatives for the numerical solution of the Schrödinger equation. Zbl 1304.65177 Simos, T. E. 46 2011 A new optimized symmetric 8-step semi-embedded predictor-corrector method for the numerical solution of the radial Schrödinger equation and related orbital problems. Zbl 1312.65117 Panopoulos, G. A.; Simos, T. E. 45 2013 An efficient and computational effective method for second order problems. Zbl 1422.65113 Ma, Jing; Simos, T. E. 45 2017 Bifurcation analysis of reaction-diffusion Schnakenberg model. Zbl 1320.92088 Liu, Ping; Shi, Junping; Wang, Yuwen; Feng, Xiuhong 44 2013 Mostar index. Zbl 1406.92750 Došlić, Tomislav; Martinjak, Ivica; Škrekovski, Riste; Tipurić Spužević, Sanja; Zubac, Ivana 43 2018 Atoms of multistationarity in chemical reaction networks. Zbl 1352.92186 Joshi, Badal; Shiu, Anne 41 2013 A Haar wavelet-finite difference hybrid method for the numerical solution of the modified Burgers’ equation. Zbl 1331.65123 Oruç, Ö.; Bulut, F.; Esen, A. 40 2015 Extremal values of the Sombor index in unicyclic and bicyclic graphs. Zbl 1462.05071 Cruz, Roberto; Rada, Juan 40 2021 Monotone chemical reaction networks. Zbl 1117.80309 De Leenheer, Patrick; Angeli, David; Sontag, Eduardo D. 38 2007 Bifurcation analysis and chaos control in discrete-time glycolysis models. Zbl 1384.92030 Din, Qamar 37 2018 A constructive approach to quasi-steady state reductions. Zbl 1331.92172 Goeke, Alexandra; Walcher, Sebastian 36 2014 Dynamic behaviors of Monod type chemostat model with impulsive perturbation on the nutrient concentration. Zbl 1217.34125 Sun, Shulin; Chen, Lansun 36 2007 The Estrada index of chemical trees. Zbl 1309.92085 Ilić, Aleksandar; Stevanović, Dragan 36 2010 Minimum general sum-connectivity index of unicyclic graphs. Zbl 1293.05048 Du, Zhibin; Zhou, Bo; Trinajstić, Nenad 36 2010 On resistance-distance and Kirchhoff index. Zbl 1187.92092 Zhou, Bo; Trinajstić, Nenad 36 2009 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 A family of P-stable eighth algebraic order methods with exponential fitting facilities. Zbl 0995.81506 Aguiar, J. V.; Simos, T. E. 35 2001 Bounds for the Kirchhoff index via majorization techniques. Zbl 1327.05066 Bianchi, Monica; Cornaro, Alessandra; Palacios, José Luis; Torriero, Anna 35 2013 On the convergence of Mickens’ type nonstandard finite difference schemes on Lane-Emden type equations. Zbl 1448.65121 Verma, Amit Kumar; Kayenat, Sheerin 35 2018 Landscapes and their correlation functions. Zbl 1002.92547 Stadler, Peter F. 34 1996 On Harary index. Zbl 1217.05216 Zhou, Bo; Cai, Xiaochun; Trinajstić, Nenad 34 2008 High algebraic order methods with vanished phase-lag and its first derivative for the numerical solution of the Schrödinger equation. Zbl 1202.81027 Alolyan, Ibraheem; Simos, T. E. 34 2010 Numerical solution of nonlinear singularly perturbed problems on nonuniform meshes by using a non-standard algorithm. Zbl 1304.65180 Ramos, Higinio; Vigo-Aguiar, J.; Natesan, S.; García-Rubio, R.; Queiruga, M. A. 34 2010 Embedded eighth order methods for the numerical solution of the Schrödinger equation. Zbl 0954.65061 Avdelas, G.; Simos, T. E. 34 2000 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 High dimensional model representations generated from low dimensional data samples. I: mp-cut-HDMR. Zbl 1023.81521 Li, Genyuan; Wang, Sheng-Wei; Rosenthal, Carey; Rabitz, Herschel 33 2001 Terminal Wiener index. Zbl 1310.05075 Gutman, Ivan; Furtula, Boris; Petrović, Miroslav 33 2009 A family of \(P\)-stable exponentially-fitted methods for the numerical solution of the Schrödinger equation. Zbl 0954.65064 Simos, T. E. 33 1999 Sombor index: review of extremal results and bounds. Zbl 1492.92156 Liu, Hechao; Gutman, Ivan; You, Lihua; Huang, Yufei 33 2022 An efficient and economical high order method for the numerical approximation of the Schrödinger equation. Zbl 1383.65083 Yang, Lan; Simos, T. E. 33 2017 The ABC matrix. Zbl 1380.92097 Estrada, Ernesto 32 2017 An effective computational technique for a class of Lane-Emden equations. Zbl 1349.65259 Singh, Mandeep; Verma, Amit K. 31 2016 On lower bounds of number of perfect matchings in fullerene graphs. Zbl 0918.92025 Došlić, Tomislav 31 1998 Weakly reversible single linkage class realizations of polynomial dynamical systems: an algorithmic perspective. Zbl 07796566 Craciun, Gheorghe; Deshpande, Abhishek; Jin, Jiaxin 3 2024 Optimized derivative fast Fourier transform with high resolution and low noise from encoded time signals: ovarian NMR spectroscopy. Zbl 1533.92111 Belkić, Dževad; Belkić, Karen 2 2024 An efficient multi-derivative numerical method for chemical boundary value problems. Zbl 1534.92003 Celik, Esra; Tunc, Huseyin; Sari, Murat 1 2024 An exceedingly effective and inexpensive two-step, fourteenth-order phase-fitting method for solving quantum chemical issues. Zbl 1534.65102 Medvedeva, Marina A.; Simos, T. E. 1 2024 Quantum-mechanical four-body versus semi-classical three-body theories for double charge exchange in collisions of fast alpha particles with helium targets. Zbl 1541.81030 Belkić, Dževad 1 2024 In vivo brain MRS at a 1.5T clinical scanner: optimized derivative fast Fourier transform for high-resolution spectra from time signals encoded with and without water suppression. Zbl 07887312 Belkić, Dževad; Belkić, Karen 1 2024 A time two-grid difference method for nonlinear generalized viscous Burgers’ equation. Zbl 1543.65136 Shi, Yang; Yang, Xuehua 1 2024 Improved energy formula for highly excited vibrational states of Kratzer-Fues oscillator. Zbl 1537.81107 Molski, Marcin 1 2024 Numerical solution of some stiff systems arising in chemistry via Taylor wavelet collocation method. Zbl 1535.65117 Manohara, G.; Kumbinarasaiah, S. 1 2024 Applications of the inverse degree index to molecular structures. Zbl 1531.05053 Molina, Edil D.; Rodríguez, José M.; Sánchez, José L.; Sigarreta, José M. 1 2024 Theoretical model for the prediction of lattice energy of diatomic metal halides. Zbl 1537.81222 Pandey, Anjani K.; Dixit, Chandra K.; Srivastava, Shivam 1 2024 An effective multistep fourteenth-order phase-fitting approach to solving chemistry problems. Zbl 07914739 Huang, Hui; Liu, Cheng; Lin, Chia-Liang; Simos, T. E. 1 2024 Dynamical behavior of a classical stochastic delayed chemostat model. Zbl 07914740 Zhang, Xiaofeng; Sun, Shulin 1 2024 The use of a multistep, cost-efficient fourteenth-order phase-fitting method to chemistry problems. Zbl 07914735 Xu, Rong; Sun, Bin; Lin, Chia-Liang; Simos, T. E. 1 2024 Solution to quantum chemistry problems using a phase-fitting, singularly P-stable, cost-effective two-step approach with disappearing phase-lag derivatives up to order 5. Zbl 1512.65141 Sun, Bin; Lin, Chia-Liang; Simos, T. E. 10 2023 Highly efficient, singularly P-stable, and low-cost phase-fitting two-step method of 14th order for problems in chemistry. Zbl 1515.65196 Lin, Chia-Liang; Simos, T. E. 8 2023 Comparative analysis of carbon cycle models via kinetic representations. Zbl 1516.92136 Fortun, Noel T.; Mendoza, Eduardo R. 5 2023 Some new results on energy of graphs with self loops. Zbl 1516.05131 Popat, Kalpesh M.; Shingala, Kunal R. 5 2023 Phase-fitting, singularly P-stable, cost-effective two-step approach to solving problems in quantum chemistry with vanishing phase-lag derivatives up to order 6. Zbl 1515.65195 Lin, Chia-Liang; Simos, T. E. 4 2023 A close-up to the bond-breaking and bond-forming using information theory. Zbl 1521.81495 Flores-Gallegos, N. 4 2023 Two-step, fourteenth-order, phase-fitting procedure with high efficiency and minimal cost for chemical problems. Zbl 07724033 Bao, Wei; Lin, Chia-Liang; Sun, Bin; Simos, T. E. 4 2023 A new one-step method with three intermediate points in a variable step-size mode for stiff differential systems. Zbl 1512.65124 Ramos, Higinio; Rufai, Mufutau Ajani 3 2023 Inverse problem for reconstruction of components from derivative envelope in ovarian MRS: citrate quartet as a cancer biomarker with considerably decreased levels in malignant vs benign samples. Zbl 1511.92034 Belkić, Dževad; Belkić, Karen 3 2023 Positive equilibria of power law kinetics on networks with independent linkage classes. Zbl 1519.92365 Hernandez, Bryan S.; Mendoza, Eduardo R. 3 2023 Exponential topological indices: optimal inequalities and applications. Zbl 1511.05046 Carballosa, Walter; Quintana, Yamilet; Rodríguez, José M.; Sigarreta, José M. 3 2023 A robust numerical technique for weakly coupled system of parabolic singularly perturbed reaction-diffusion equations. Zbl 07695650 Singh, Satpal; Kumar, Devendra; Vigo-Aguiar, J. 3 2023 Solution of quantum chemical problems by a very effective and relatively inexpensive two-step, fourteenth-order, phase-fitting procedure. Zbl 07745948 Medvedeva, Marina A.; Simos, T. E. 3 2023 Derivative shape estimations with resolved overlapped peaks and reduced noise for time signals encoded by NMR spectroscopy with and without water suppression. Zbl 1522.92092 Belkić, Dževad; Belkić, Karen 3 2023 An approach to local electron energy in atoms through Rényi’s entropy. Zbl 07673446 Flores-Gallegos, N. 2 2023 Quantum similarity index and Rényi complexity ratio of Kratzer type potential and compared with that of inverse square and Coulomb type potentials. Zbl 1521.81020 Nath, Debraj; Carbó-Dorca, Ramon 2 2023 Turing instability and pattern formation in a diffusive Sel’kov-Schnakenberg system. Zbl 1514.35444 Wang, Yong; Zhou, Xu; Jiang, Weihua; Qi, Liangping 2 2023 Codimension-2 bifurcations on the curve of the Neimark-Sacker bifurcation for a discrete-time chemical model. Zbl 1511.39017 Eskandari, Zohreh; Ghaziani, R. Khoshsiar; Avazzadeh, Zakieh; Li, Bo 2 2023 Fermi-Dirac entropy as a measure of electron interactions. Zbl 1523.81099 Flores-Gallegos, N. 2 2023 Second-order convergent scheme for time-fractional partial differential equations with a delay in time. Zbl 07643849 Choudhary, Renu; Kumar, Devendra; Singh, Satpal 2 2023 Difference methods for stochastic space fractional diffusion equation driven by additive space-time white noise via Wong-Zakai approximation. Zbl 1506.65131 Singh, Abhishek Kumar; Mehra, Mani 2 2023 3-point block backward differentiation formula with an off-step point for the solutions of stiff chemical reaction problems. Zbl 07643851 Soomro, Hira; Zainuddin, Nooraini; Daud, Hanita; Sunday, Joshua; Jamaludin, Noraini; Abdullah, Abdullah; Mulono, Apriyanto; Kadir, Evizal Abdul 2 2023 An optimal eighth order derivative free multiple root finding numerical method and applications to chemistry. Zbl 1515.65121 Zafar, Fiza; Cordero, Alicia; Ashraf, Ifra; Torregrosa, Juan R. 2 2023 On the modified generalized multidimensional KP equation in plasma physics and fluid dynamics in \((3+1)\) dimensions. Zbl 1505.35307 Sáez, S. 2 2023 Accurate and efficient flux-corrected finite volume approximation for the fragmentation problem. Zbl 07724028 Paul, Jayanta; Ghosh, Debdulal; Kumar, Jitendra 2 2023 An approach to chemical hardness through Shannon’s entropy. Zbl 1530.81020 Flores-Gallegos, N.; Flores-Gómez, L. 2 2023 Solution of quantum chemical problems using an extremely successful and reasonably cost two-step, fourteenth-order phase-fitting approach. Zbl 07745938 Du, Yu; Lin, Chia-Liang; Sun, Bin; Simos, T. E. 2 2023 A network-based parametrization of positive steady states of power-law kinetic systems. Zbl 1522.92023 Hernandez, Bryan S.; Buendicho, Kaitlyn Deen E. 2 2023 Various mechanisms for double capture from helium targets by alpha particles. Zbl 1532.81065 Belkić, Dževad 2 2023 Information-theoretic spreading measures of a particle confined in a 3D infinite spherical well. Zbl 1543.81032 Nath, Debraj; Carbó-Dorca, Ramon 1 2023 An efficient algorithm combining an optimized hybrid block method and the differential quadrature method for solving Hunter-Saxton equation. Zbl 1519.65045 Kaur, Anurag; Kanwar, V.; Ramos, Higinio 1 2023 High-energy two-electron transfer in ion-atom collisions. Zbl 1521.81421 Belkić, Dževad 1 2023 Energy and information-entropic measures of Hulthén potential in \(D\) dimension by a new approximation to centrifugal term. Zbl 1512.94043 Nath, Debraj; Roy, Amlan K. 1 2023 Topological characterization of statistically clustered networks for molecular similarity analysis. Zbl 1512.05093 Gurunathan, Sambanthan; Yogalakshmi, Thangaraj; Balasubramanian, Krishnan 1 2023 Staying the course: iteratively locating equilibria of dynamical systems on Riemannian manifolds defined by point-clouds. Zbl 1515.37090 Bello-Rivas, Juan M.; Georgiou, Anastasia; Guckenheimer, John; Kevrekidis, Ioannis G. 1 2023 Quantum similarity and QSPR in Euclidean-, and Minkowskian-Banach spaces. Zbl 1521.81245 Carbó-Dorca, Ramon 1 2023 A new 2-level compact off-step implicit method in exponential form for the solution of fourth order nonlinear parabolic equations. Zbl 1512.65181 Mohanty, R. K.; Sharma, Divya 1 2023 Analytical solutions of the molecular Kratzer-Feus potential by means of the Nikiforov-Uvarov method. Zbl 1523.81213 Doma, S. B.; Gohar, A. A.; Younes, M. S. 1 2023 Qualitative analysis and Hopf bifurcation of a generalized Lengyel-Epstein model. Zbl 1506.35007 Chen, Mengxin; Wang, Tian 1 2023 On the efficient and accurate determinant evaluation of periodic tridiagonal Toeplitz matrices. Zbl 1522.15006 Jia, Ji-Teng; Wang, Fu-Rong 1 2023 On the information obtained using Shannon’s entropy through spin density. Zbl 1519.92364 Flores-Gallegos, N. 1 2023 The cut method on hypergraphs for the Wiener index. Zbl 1518.05043 Klavžar, Sandi; Romih, Gašper Domen 1 2023 Solving singular boundary value problems using higher-order compact finite difference schemes with a novel higher-order implementation of Robin boundary conditions. Zbl 1515.65200 Dlamini, Phumlani; Malele, James; Simelane, Simphiwe 1 2023 Graph derivative indices interpretation from the quantum mechanics perspective. Zbl 07724031 Vivas-Reyes, Ricardo; Martínez-Santiago, Oscar; Marrero-Ponce, Yovani 1 2023 Theoretical prediction for thermoelastic properties of carbon nanotubes (CNTs) at different pressure or compression using equation of states. Zbl 1532.74030 Srivastava, Shivam; Pandey, Anjani K.; Dixit, Chandra K. 1 2023 A high-order compact finite difference scheme and its analysis for the time-fractional diffusion equation. Zbl 07745943 Roul, Pradip; Prasad Goura, V. M. K.; Agarwal, Ravi 1 2023 Sombor index: review of extremal results and bounds. Zbl 1492.92156 Liu, Hechao; Gutman, Ivan; You, Lihua; Huang, Yufei 33 2022 Atom-bond sum-connectivity index. Zbl 1498.05065 Ali, Akbar; Furtula, Boris; Redžepović, Izudin; Gutman, Ivan 16 2022 A phase-fitting and first derivative phase-fitting singularly P-stable economical two-step method for problems in quantum chemistry. Zbl 1498.81141 Medvedev, Maxim A.; Simos, T. E. 13 2022 A phase-fitting, first, second and third derivatives phase-fitting singularly P-stable economical two-step method for problems in quantum chemistry. Zbl 1500.81029 Lin, Chia-Liang; Simos, T. E. 13 2022 A phase-fitting, first and second derivatives phase-fitting singularly P-stable economical two-step method for problems in chemistry. Zbl 1500.81031 Sun, Bin; Lin, Chia-Liang; Simos, T. E. 12 2022 A phase-fitting singularly P-stable cost-effective two-step method for solving chemistry problems. Zbl 1515.65194 Lin, Chia-Liang; Simos, T. E. 11 2022 Fractal equation of motion of a non-Gaussian polymer chain: investigating its dynamic fractal response using an ancient Chinese algorithm. Zbl 1487.81157 Elías-Zúñiga, Alex; Martínez-Romero, Oscar; Trejo, Daniel Olvera; Palacios-Pineda, Luis Manuel 9 2022 A singularly P-stable two-step method with improved characteristics for problems in chemistry. Zbl 1484.81032 Medvedeva, Marina A.; Simos, T. E. 6 2022 A quartic trigonometric B-spline collocation method for a general class of nonlinear singular boundary value problems. Zbl 1482.92129 Roul, Pradip; Kumari, Trishna 6 2022 Peripherality in networks: theory and applications. Zbl 1489.05022 Geneson, Jesse; Tsai, Shen-Fu 5 2022 Analysis of solutions of time-dependent Schrödinger equation of a particle trapped in a spherical box. Zbl 1496.81053 Nath, Debraj; Carbó-Dorca, Ramon 5 2022 In vitro proton magnetic resonance spectroscopy at 14T for benign and malignant ovary. I: Signal processing by the nonparametric fast Padé transform. Zbl 1486.92095 Belkić, Dževad; Belkić, Karen 5 2022 A two-step singularly P-Stable method with high phase and large stability properties for problems in chemistry. Zbl 1487.81083 Generalov, Dmitry; Tsvetova, Ekaterina; Fedorov, Ruslan; Kovalnogov, Vladislav; Simos, T. E. 5 2022 On the information balance in a simple chemical process. Zbl 1497.92369 Flores-Gallegos, N. 4 2022 Rényi’s divergence as a chemical similarity criterion. Zbl 1481.92189 Flores-Gallegos, N. 4 2022 Critical scaling of lattice polymers confined to a box without endpoint restriction. Zbl 1500.82003 Bradly, C. J.; Owczarek, A. L. 4 2022 In vitro proton magnetic resonance spectroscopy at 14T for benign and malignant ovary. II: Signal processing by the parametric fast Padé transform. Zbl 1497.92140 Belkić, Dževad; Belkić, Karen 4 2022 Complete forcing numbers of hexagonal systems. II. Zbl 1492.92152 He, Xin; Zhang, Heping 3 2022 An efficient numerical technique for solving nonlinear singularly perturbed reaction diffusion problem. Zbl 1502.65226 Khari, Kartikay; Kumar, Vivek 3 2022 An efficient operational matrix technique to solve the fractional order non-local boundary value problems. Zbl 1497.92373 Kumar, Saurabh; Gupta, Vikas; Gómez-Aguilar, J. F. 3 2022 A 1-separation formula for the graph Kemeny constant and Braess edges. Zbl 1481.05146 Faught, Nolan; Kempton, Mark; Knudson, Adam 3 2022 Shadows’ hypercube, vector spaces, and non-linear optimization of QSPR procedures. Zbl 1486.92335 Carbó-Dorca, Ramon 3 2022 A fast numerical scheme for solving singular boundary value problems arising in various physical models. Zbl 1492.65211 Roul, Pradip; Prasad Goura, V. M. K. 3 2022 Global dynamics of solutions for enzyme catalysed models with almost periodic oscillatory input. Zbl 1506.34064 Díaz-Marín, Homero G.; López-Hernández, Francisco J.; Osuna, Osvaldo 3 2022 A division-free algorithm for numerically evaluating the determinant of a specific quasi-tridiagonal matrix. Zbl 1503.65081 Jia, Ji-Teng; Wang, Jie; He, Qi; Yan, Yu-Cong 3 2022 Weakly reversible CF-decompositions of chemical kinetic systems. Zbl 1492.92164 Hernandez, Bryan S.; Mendoza, Eduardo R. 3 2022 Graph entropies, enumeration of circuits, walks and topological properties of three classes of isoreticular metal organic frameworks. Zbl 1492.92142 Abraham, Jessie; Arockiaraj, Micheal; Jency, Joseph; Kavitha, S. Ruth Julie; Balasubramanian, Krishnan 2 2022 Computation of atomic electronegativity values using atomic and covalent potential: a FSGO based study. Zbl 1500.81087 Saloni; Kumari, Dimple; Tandon, Hiteshi; Labarca, Martín; Chakraborty, Tanmoy 2 2022 An incomplete block-diagonalization approach for evaluating the determinants of bordered \(k\)-tridiagonal matrices. Zbl 1505.65176 Jia, Ji-Teng; Wang, Jie; Yuan, Ting-Feng; Zhang, Kai-Kai; Zhong, Bao-Ming 2 2022 Average energy and quantum similarity of a time dependent quantum system subject to Pöschl-Teller potential. Zbl 1487.81078 Carbó-Dorca, Ramon; Nath, Debraj 2 2022 The rotating harmonic oscillator revisited. Zbl 1487.81091 Fernández, Francisco M. 2 2022 Wavelet solution of a strongly nonlinear Lane-Emden equation. Zbl 1515.65342 Tiwari, Diksha; Verma, Amit K.; Cattani, Carlo 2 2022 Dendrimer eigen-characteristics. Zbl 1497.92366 Mandal, Bholanath; Klein, Douglas J. 2 2022 Study of uncertainty, average energy, and thermodynamic quantities of the time dependent quantum system. Zbl 1510.81063 Nath, Debraj 2 2022 A possible generalization Shannon’s entropy using \(q\)-calculus. Zbl 1510.81020 Flores-Gallegos, N. 2 2022 A multistep method with optimal phase and stability properties for problems in quantum chemistry. Zbl 1492.65193 Medvedeva, Marina A.; Simos, T. E. 1 2022 mad-GP: automatic differentiation of Gaussian processes for molecules and materials. Zbl 1491.92142 Huang, Daniel; Teng, Chong; Bao, Junwei Lucas; Tristan, Jean-Baptiste 1 2022 Persistence and stability of a class of kinetic compartmental models. Zbl 1491.92143 Szederkényi, Gábor; Ács, Bernadett; Lipták, György; Vághy, Mihály A. 1 2022 A multistep conditionally P-stable method with phase properties of high order for problems in quantum chemistry. Zbl 1496.81110 Lin, Chia-Liang; Simos, T. E. 1 2022 Three conjectures on extended twin primes and the existence of isoboolean and singular primes inspired by relativistic quantum computing. Zbl 1498.11021 Balasubramanian, Krishnan; Carbó-Dorca, Ramon 1 2022 ...and 1216 more Documents all cited Publications top 5 cited Publications all top 5 Cited by 7,569 Authors 208 Simos, Theodore E. 80 Carbó-Dorca, Ramon 77 Zhang, Heping 69 Gutman, Ivan M. 50 Belkić, Dževad 50 Das, Kinkar Chandra 47 Demiralp, Metin 39 Belkić, Karen 37 Roul, Pradip 37 Zhou, Bo 36 Ali, Akbar 36 Li, Shuchao 36 Liu, Jia-bao 36 Rada, Juan 34 Cordero, Alicia 34 Došlić, Tomislav 34 Nalewajski, Roman F. 34 Torregrosa Sanchez, Juan Ramón 33 Milovanović, Igor Ž. 32 Alolyan, Ibraheem 32 Milovanović, Emina I. 31 Deng, Hanyuan 31 Tsitouras, Charalampos 30 Farahani, Mohammad Reza 30 Ramos, Higinio 26 Chen, Lansun 26 Imran, Muhammad 26 Jia, Jiteng 26 Matejić, Marjan M. 25 Craciun, Gheorghe 25 Fujita, Shinsaku 25 Li, Xueliang 24 Argyros, Ioannis Konstantinos 24 Sigarreta Almira, José María 23 Ashrafi, Ali Reza 23 Balasubramanian, Krishnan 23 Vigo-Aguiar, Jesus 22 Du, Zhibin 22 Lin, Chialiang 22 Liu, Hechao 22 Macías-Díaz, Jorge Eduardo 22 Verma, Amit Kumar 22 Zhang, Tonghua 21 Din, Qamar 21 Fang, Yonglei 21 Guseinov, Israfil I. 21 Mendoza, Eduardo R. 21 Rodríguez García, José Manuel 21 Sever, Ramazan 21 You, Xiong 20 Furtula, Boris 20 Ikhdair, Sameer M. 20 Rabitz, Herschel A. 19 Behl, Ramandeep 19 Hua, Hongbo 19 Jiang, Daqing 19 Klavžar, Sandi 19 Medvedev, Maxim A. 19 Rosenfeld, Vladimir Raphael 19 Singh, Randhir 19 Zhang, Fuji 18 Fernández, Francisco Marcelo 18 Szederkényi, Gábor 18 Xu, Kexiang 17 Bersani, Alberto Maria 17 Bisi, Marzia 17 Ivanauskas, Feliksas. F. 17 Klein, Douglas J. 17 Kumar, Sunil 17 Liu, Muhuo 17 Mezey, Paul G. 17 Paternoster, Beatrice 17 Škrekovski, Riste 17 Wu, Tingzeng 16 Balachandran, Selvaraj 16 Chowdhury, Rajib 16 Dehmer, Matthias 16 Gao, Wei 16 Ghorbani, Modjtaba 16 Meng, Xinzhu 16 Spiga, Giampiero 16 Walcher, Sebastian 16 Yan, Weigen 15 Besalú, Emili 15 El-Dib, Yusry O. 15 Elumalai, Suresh 15 Groppi, Maria 15 Skakauskas, Vladas 15 Yuan, Sanling 14 Anastassi, Zacharias A. 14 Bairamov, Elgiz 14 Băleanu, Dumitru I. 14 Banaji, Murad 14 Cancan, Murat 14 Gubernov, Vladimir Vladimirovich 14 Jahanbani, Akbar 14 Palacios, Jose Luis 14 Siddiqui, Muhammad Kamran 14 Trinajstić, Nenad 13 Akhter, Shehnaz ...and 7,469 more Authors all top 5 Cited in 576 Journals 1,533 Journal of Mathematical Chemistry 272 Applied Mathematics and Computation 252 Discrete Applied Mathematics 115 Mathematical Methods in the Applied Sciences 112 Journal of Computational and Applied Mathematics 94 Linear Algebra and its Applications 93 MATCH - Communications in Mathematical and in Computer Chemistry 80 Journal of Applied Mathematics and Computing 63 Computational and Applied Mathematics 57 Journal of Computational Physics 56 Applied Mathematics Letters 54 Physica A 52 Computers & Mathematics with Applications 51 Physics Letters. 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