On the zeroth-order general Randić indexMINJIE ZHANG; SHUCHAO LI.Journal of mathematical chemistry. 2011, Vol 49, Num 2, pp 325-327, issn 0259-9791, 3 p.Article

A two-step method with vanished phase-lag and its first two derivatives for the numerical solution of the Schrodinger equationSIMOS, T. E.Journal of mathematical chemistry. 2011, Vol 49, Num 10, pp 2486-2518, issn 0259-9791, 33 p.Article

An iterative perturbation theory with a Hamiltonian modifierCHAVES, J; BARROSO, J. M; BESALU, E et al.Journal of mathematical chemistry. 2011, Vol 49, Num 3, pp 666-686, issn 0259-9791, 21 p.Article

Building transition probabilities per collision from transition rates per unit time for finding the mean observable quantities in the gas phaseSTREKALOV, M. L.Journal of mathematical chemistry. 2011, Vol 49, Num 1, pp 241-250, issn 0259-9791, 10 p.Article

Energy spectrum of the Manning-Rosen potential including centrifugal term solved by exact and proper quantization rulesGU, Xiao-Yan; DONG, Shi-Hai.Journal of mathematical chemistry. 2011, Vol 49, Num 9, pp 2053-2062, issn 0259-9791, 10 p.Article

Exact treatment of generalized modifications of finite-dimensional systems by the LRM approachZIVKOVIC, Tomislav P.Journal of mathematical chemistry. 2011, Vol 49, Num 1, pp 35-78, issn 0259-9791, 44 p.Article

Finding minimum energy reaction paths on ab initio potential energy surfaces using the fast marching methodYULI LIU; AYERS, Paul W.Journal of mathematical chemistry. 2011, Vol 49, Num 7, pp 1291-1301, issn 0259-9791, 11 p.Article

Fluctuation free multivariate integration based logarithmic HDMR in multivariate function representationTUNGA, Burcu; DEMIRALP, Metin.Journal of mathematical chemistry. 2011, Vol 49, Num 4, pp 894-909, issn 0259-9791, 16 p.Article

Integration of chemical stiff ODEs using exponential propagation methodFALATI, M; HOJJATI, G.Journal of mathematical chemistry. 2011, Vol 49, Num 10, pp 2210-2230, issn 0259-9791, 21 p.Article

Linear conjugacy of chemical reaction networksJOHNSTON, Matthew D; SIEGEL, David.Journal of mathematical chemistry. 2011, Vol 49, Num 7, pp 1263-1282, issn 0259-9791, 20 p.Article

Mean residence time of Markov processes for particle transport in fludized bed reactorsHUI GAO; YAN FU.Journal of mathematical chemistry. 2011, Vol 49, Num 2, pp 444-456, issn 0259-9791, 13 p.Article

Modeling of electrocatalysis at conducting polymer modified electrodes: nonlinear current-concentration profilesPUIDA, Mantas; MALINAUSKAS, Albertas; IVANAUSKAS, Feliksas et al.Journal of mathematical chemistry. 2011, Vol 49, Num 6, pp 1151-1162, issn 0259-9791, 12 p.Article

Modeling of nonlinear boundary value problems in enzyme-catalyzed reaction diffusion processesRAHAMATHUNISSA, G; MANISANKAR, P; RAJENDRAN, L et al.Journal of mathematical chemistry. 2011, Vol 49, Num 2, pp 457-474, issn 0259-9791, 18 p.Article

Newton trajectories for finding stationary points on molecular potential energy surfacesYULI LIU; BURGER, Steven K; AYERS, Paul W et al.Journal of mathematical chemistry. 2011, Vol 49, Num 9, pp 1915-1927, issn 0259-9791, 13 p.Article

Novel bound states treatment of the two dimensional Schrodinger equation with pseudocentral potentials plus multiparameter noncentral potentialAKTA, Metin.Journal of mathematical chemistry. 2011, Vol 49, Num 9, pp 1831-1842, issn 0259-9791, 12 p.Article

On analytical derivatives for geometry optimization in the polarizable continuum modelHARBRECHT, Helmut.Journal of mathematical chemistry. 2011, Vol 49, Num 9, pp 1928-1936, issn 0259-9791, 9 p.Article

On some discretization methods for solving a linear matrix ordinary differential equationHAO ZHENG; WEIMIN HAN.Journal of mathematical chemistry. 2011, Vol 49, Num 5, pp 1026-1041, issn 0259-9791, 16 p.Article

Orientation of a benzene molecule inside a carbon nanotubeTRAN-DUC, Thien; THAMWATTANA, Ngamta; HILL, James M et al.Journal of mathematical chemistry. 2011, Vol 49, Num 6, pp 1115-1127, issn 0259-9791, 13 p.Article

Phased cyclesKLEIN, Douglas J; ROSENFELD, Vladimir R.Journal of mathematical chemistry. 2011, Vol 49, Num 7, pp 1245-1255, issn 0259-9791, 11 p.Article

Rayleigh-Schrödinger perturbation theory generalized to eigen-operators in non-commutative ringsCASSAM-CHENAÏ, P.Journal of mathematical chemistry. 2011, Vol 49, Num 4, pp 821-835, issn 0259-9791, 15 p.Article

The fluctuationlessness approach to the numerical integration of functions with a single variable by integrating Taylor expansion with explicit remainder termBAYKARA, N. A; GÜRVIT, Ercan; DEMIRALP, Metin et al.Journal of mathematical chemistry. 2011, Vol 49, Num 2, pp 393-406, issn 0259-9791, 14 p.Article

The relationship between the eigenvalues and eigenvectors of a similarity matrix and its associated Carbó index matrixAYERS, Paul W; CARBO-DORCA, Ramon.Journal of mathematical chemistry. 2011, Vol 49, Num 1, pp 6-11, issn 0259-9791, 6 p.Article

Unified treatment of complex and real rotation-angular functions for two-center overlap integrals over arbitrary atomic orbitalsGUSEINOV, I. I.Journal of mathematical chemistry. 2011, Vol 49, Num 5, pp 1011-1013, issn 0259-9791, 3 p.Article

Entropy/information descriptors of the chemical bond revisitedNALEWAJSKI, Roman F.Journal of mathematical chemistry. 2011, Vol 49, Num 10, pp 2308-2329, issn 0259-9791, 22 p.Article

A Gaussian holographic theorem and the projection of electronic density functions into the surface of a sphereCARBO-DORCA, Ramon; BESALU, Emili.Journal of mathematical chemistry. 2010, Vol 48, Num 4, pp 914-924, issn 0259-9791, 11 p.Article