A mixed-entropic uncertainty relation Kamal BhattacharyyaKarabi Halder Brief Communication 05 August 2012 Pages: 1 - 6
Information-theoretic multiplicities of chemical bond in Shull’s model of H2 Roman F. Nalewajski Original Paper Open access 06 October 2012 Pages: 7 - 20
Enumeration of substitutional isomers with restrictive mutual positions of ligands: I. Overall counts Vladimir R. RosenfeldDouglas J. Klein Original Paper 28 September 2012 Pages: 21 - 37
A contemporary linear representation theory for ordinary differential equations: multilinear algebra in folded arrays (folarrs) perspective and its use in multidimensional case Metin DemiralpEmre Demiralp Original Paper 05 August 2012 Pages: 38 - 57
A contemporary linear representation theory for ordinary differential equations: probabilistic evolutions and related approximants for unidimensional autonomous systems Metin DemiralpEmre Demiralp Original Paper 10 August 2012 Pages: 58 - 72
Systematic procedure for reduction of kinetic mechanisms of complex chemical processes and its software implementation A. V. LebedevM. V. OkunM. Strelkova Original Paper 11 August 2012 Pages: 73 - 107
Collisional energy transfer with statistical energy exchange: an analytical solution in the statistical limit M. L. Strekalov Original Paper 31 July 2012 Pages: 108 - 116
Positive ions of SiH4: Jahn-Teller-like distortions for \({{\rm SiH}_{4}^{+}}\) and eventually molecular collapse on further ionisation. C. Van AlsenoyN. H. March Original Paper 03 August 2012 Pages: 117 - 124
Topological model to quantify the global reactivity indexes as local in Diels–Alder reactions, using density function theory (DFT) and local quantum similarity (LQS) Alejandro Morales-BayueloRicardo Vivas-Reyes Original Paper 11 August 2012 Pages: 125 - 143
Substrate and enzyme concentration dependence of the Henri–Michaelis–Menten model probed by numerical simulation Jose Ailton Conceicao BispoCarlos Francisco Sampaio BonafeAncelmo Rabelo de Souza Original Paper 14 August 2012 Pages: 144 - 152
Atoms of multistationarity in chemical reaction networks Badal JoshiAnne Shiu Original Paper 10 August 2012 Pages: 153 - 178
Measuring localization-delocalization phenomena in a quantum corral H. H. CorzoE. CastañoR. P. Sagar Original Paper 19 August 2012 Pages: 179 - 193
New high order multiderivative explicit four-step methods with vanished phase-lag and its derivatives for the approximate solution of the Schrödinger equation. Part I: Construction and theoretical analysis T. E. Simos Original Paper 23 August 2012 Pages: 194 - 226
Equivalence of the empirical shifted Deng–Fan oscillator potential for diatomic molecules M. HamzaviS. M. IkhdairK.-E. Thylwe Original Paper 29 August 2012 Pages: 227 - 238
Enumeration of substitutional isomers with restrictive mutual positions of ligands. II. Counts with restrictions on (sub)symmetry Vladimir R. RosenfeldDouglas J. Klein Original Paper 27 October 2012 Pages: 239 - 264
Trapping of a particle in a short-range harmonic potential well L. B. CastroA. S. de Castro Original Paper 01 September 2012 Pages: 265 - 277
Temperature phase transition model for the DNA-CNTs-based nanotweezers Anh D. PhanLilia M. WoodsN. A. Viet Original Paper 14 September 2012 Pages: 278 - 288
Mathematical aspects of the LCAO MO first order density function (5): centroid shifting of MO shape functions basis set, properties and applications Ramon Carbó-Dorca Original Paper 15 September 2012 Pages: 289 - 296
Entropic representation in the theory of molecular electronic structure Roman F. Nalewajski Original Paper Open access 27 September 2012 Pages: 297 - 315
A numerical characteristic method for probability generating functions on stochastic first-order reaction networks Chang Hyeong LeeJaemin ShinJunseok Kim Original Paper 16 September 2012 Pages: 316 - 337
Collective Euclidian distances and quantum similarity Ramon Carbó-Dorca Original Paper 22 September 2012 Pages: 338 - 353
The number of Kekulé structures of polyominos on the torus Lianzhu ZhangShouliu WeiFuliang Lu Original Paper 23 September 2012 Pages: 354 - 368
Use of Harriman’s construction in determining molecular equilibrium states Roman F. Nalewajski Original Paper Open access 28 September 2012 Pages: 369 - 381
EMP as a similarity measure: a geometric point of view Ramon Carbó-DorcaEmili Besalú Original Paper 22 September 2012 Pages: 382 - 389
New optimized explicit modified RKN methods for the numerical solution of the Schrödinger equation Yonglei FangXiong YouQinghe Ming Original Paper 27 September 2012 Pages: 390 - 411
