Journal of Mathematical Chemistry

Novel bound states treatment of the two dimensional Schrödinger equation with pseudocentral potentials plus multiparameter noncentral potential
pp. 1831-1842(12)
Authors: Aktaş, Metin

A family of ten-step methods with vanished phase-lag and its first derivative for the numerical solution of the Schrödinger equation
pp. 1843-1888(46)
Authors: Alolyan, Ibraheem; Simos, T.

An analysis for the DIIS acceleration method used in quantum chemistry calculations
pp. 1889-1914(26)
Authors: Rohwedder, Thorsten; Schneider, Reinhold

Newton trajectories for finding stationary points on molecular potential energy surfaces
pp. 1915-1927(13)
Authors: Liu, Yuli; Burger, Steven; Ayers, Paul

On analytical derivatives for geometry optimization in the polarizable continuum model
pp. 1928-1936(9)
Author: Harbrecht, Helmut

Construction of stationary quantum states with targeted energies
pp. 1937-1948(12)
Authors: Das, Chandrachur; Bhattacharyya, Kamal

Enzyme kinetics with a twist
pp. 1949-1960(12)
Authors: Baleizão, Carlos; Berberan-Santos, Mário

The two-body problem with generalized Lennard-Jones potential
pp. 1961-1975(15)
Authors: Bărbosu, Mihail; Mioc, Vasile; Paşca, Daniel; Szenkovits, Ferenc

Extending the kinetic solution of the classic Michaelis-Menten model of enzyme action
pp. 1976-1995(20)
Authors: Bispo, Jose; Bonafe, Carlos; Souza, Volnei; Almeida e Silva, João; Carvalho, Giovani

Constancy maximization based weight optimization in high dimensional model representation for multivariate functions
pp. 1996-2012(17)
Authors: Tunga, Burcu; Demiralp, Metin

The numerical simulation of vanadium RedOx flow batteries
pp. 2013-2031(19)
Authors: Bayanov, I.; Vanhaelst, R.

Optimal non-linear dimension reduction scheme for classical molecular dynamics
pp. 2032-2052(21)
Author: Dey, Bijoy

Energy spectrum of the Manning-Rosen potential including centrifugal term solved by exact and proper quantization rules
pp. 2053-2062(10)
Authors: Gu, Xiao-Yan; Dong, Shi-Hai

The architecture and the Jones polynomial of polyhedral links
pp. 2063-2088(26)
Authors: Jin, Xian'an; Zhang, Fuji

Correlations between two sets of angular relation equations
pp. 2089-2108(20)
Authors: Liu, Ying; Liu, Bihui; Liu, Yue; Drew, Michael

Quantum similarity, volume functions and generalized Carbó indices
pp. 2109-2115(7)
Authors: Carbó-Dorca, Ramon