Volume 51; Issue 1

Journal of Mathematical Chemistry

Volume 51; Issue 1

1

Information-theoretic multiplicities of chemical bond in Shull’s model of H2

Nalewajski, Roman F.

Journal:

Journal of Mathematical Chemistry

Year:

2013

Language:

english

File:

PDF, 304 KB

english, 2013

2

Enumeration of substitutional isomers with restrictive mutual positions of ligands: I. Overall counts

Rosenfeld, Vladimir R., Klein, Douglas J.

Journal:

Journal of Mathematical Chemistry

Year:

2013

Language:

english

File:

PDF, 262 KB

english, 2013

3

A contemporary linear representation theory for ordinary differential equations: multilinear algebra in folded arrays (folarrs) perspective and its use in multidimensional case

Demiralp, Metin, Demiralp, Emre

Journal:

Journal of Mathematical Chemistry

Year:

2013

Language:

english

File:

PDF, 203 KB

english, 2013

4

Systematic procedure for reduction of kinetic mechanisms of complex chemical processes and its software implementation

Lebedev, A. V., Okun, M. V., Chorkov, V. A., Tokar, P. M., Strelkova, M.

Journal:

Journal of Mathematical Chemistry

Year:

2013

Language:

english

File:

PDF, 1.43 MB

english, 2013

5

Collisional energy transfer with statistical energy exchange: an analytical solution in the statistical limit

Strekalov, M. L.

Journal:

Journal of Mathematical Chemistry

Year:

2013

Language:

english

File:

PDF, 147 KB

english, 2013

6

Positive ions of SiH4: Jahn-Teller-like distortions for({{ m SiH}_{4}^{+}})and eventually molecular collapse on further ionisation.

Van Alsenoy, C., March, N. H.

Journal:

Journal of Mathematical Chemistry

Year:

2013

Language:

english

File:

PDF, 172 KB

english, 2013

7

A mixed-entropic uncertainty relation

Bhattacharyya, Kamal, Halder, Karabi

Journal:

Journal of Mathematical Chemistry

Year:

2013

Language:

english

File:

PDF, 126 KB

english, 2013

8

Topological model to quantify the global reactivity indexes as local in Diels–Alder reactions, using density function theory (DFT) and local quantum similarity (LQS)

Morales-Bayuelo, Alejandro, Vivas-Reyes, Ricardo

Journal:

Journal of Mathematical Chemistry

Year:

2013

Language:

english

File:

PDF, 670 KB

english, 2013

9

A contemporary linear representation theory for ordinary differential equations: probabilistic evolutions and related approximants for unidimensional autonomous systems

Demiralp, Metin, Demiralp, Emre

Journal:

Journal of Mathematical Chemistry

Year:

2013

Language:

english

File:

PDF, 179 KB

english, 2013

10

Substrate and enzyme concentration dependence of the Henri–Michaelis–Menten model probed by numerical simulation

Bispo, Jose Ailton Conceicao, Bonafe, Carlos Francisco Sampaio, Koblitz, Maria Gabriela Bello, Silva, Carlos Geilson Santana, Souza, Ancelmo Rabelo

Journal:

Journal of Mathematical Chemistry

Year:

2013

Language:

english

File:

PDF, 678 KB

english, 2013

11

Atoms of multistationarity in chemical reaction networks

Joshi, Badal, Shiu, Anne

Journal:

Journal of Mathematical Chemistry

Year:

2013

Language:

english

File:

PDF, 518 KB

english, 2013

12

Measuring localization-delocalization phenomena in a quantum corral

Corzo, H. H., Castaño, E., Laguna, H. G., Sagar, R. P.

Journal:

Journal of Mathematical Chemistry

Year:

2013

Language:

english

File:

PDF, 720 KB

english, 2013

13

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

Journal:

Journal of Mathematical Chemistry

Year:

2013

Language:

english

File:

PDF, 816 KB

english, 2013

14

Equivalence of the empirical shifted Deng–Fan oscillator potential for diatomic molecules

Hamzavi, M., Ikhdair, S. M., Thylwe, K.-E.

Journal:

Journal of Mathematical Chemistry

Year:

2013

Language:

english

File:

PDF, 244 KB

english, 2013

15

Enumeration of substitutional isomers with restrictive mutual positions of ligands. II. Counts with restrictions on (sub)symmetry

Rosenfeld, Vladimir R., Klein, Douglas J.

Journal:

Journal of Mathematical Chemistry

Year:

2013

Language:

english

File:

PDF, 330 KB

english, 2013

16

Trapping of a particle in a short-range harmonic potential well

Castro, L. B., Castro, A. S.

Journal:

Journal of Mathematical Chemistry

Year:

2013

Language:

english

File:

PDF, 435 KB

english, 2013

17

Temperature phase transition model for the DNA-CNTs-based nanotweezers

Phan, Anh D., Woods, Lilia M., Viet, N. A.

Journal:

Journal of Mathematical Chemistry

Year:

2013

Language:

english

File:

PDF, 502 KB

english, 2013

18

Mathematical aspects of the LCAO MO first order density function (5): centroid shifting of MO shape functions basis set, properties and applications

Carbó-Dorca, Ramon

Journal:

Journal of Mathematical Chemistry

Year:

2013

Language:

english

File:

PDF, 128 KB

english, 2013

19

Entropic representation in the theory of molecular electronic structure

Nalewajski, Roman F.

Journal:

Journal of Mathematical Chemistry

Year:

2013

Language:

english

File:

PDF, 221 KB

english, 2013

20

A numerical characteristic method for probability generating functions on stochastic first-order reaction networks

Lee, Chang Hyeong, Shin, Jaemin, Kim, Junseok

Journal:

Journal of Mathematical Chemistry

Year:

2013

Language:

english

File:

PDF, 1002 KB

english, 2013

21

Collective Euclidian distances and quantum similarity

Carbó-Dorca, Ramon

Journal:

Journal of Mathematical Chemistry

Year:

2013

Language:

english

File:

PDF, 195 KB

english, 2013

22

The number of Kekulé structures of polyominos on the torus

Zhang, Lianzhu, Wei, Shouliu, Lu, Fuliang

Journal:

Journal of Mathematical Chemistry

Year:

2013

Language:

english

File:

PDF, 561 KB

english, 2013

23

Use of Harriman’s construction in determining molecular equilibrium states

Nalewajski, Roman F.

Journal:

Journal of Mathematical Chemistry

Year:

2013

Language:

english

File:

PDF, 195 KB

english, 2013

24

EMP as a similarity measure: a geometric point of view

Carbó-Dorca, Ramon, Besalú, Emili

Journal:

Journal of Mathematical Chemistry

Year:

2013

Language:

english

File:

PDF, 143 KB

english, 2013

25

New optimized explicit modified RKN methods for the numerical solution of the Schrödinger equation

Fang, Yonglei, You, Xiong, Ming, Qinghe

Journal:

Journal of Mathematical Chemistry

Year:

2013

Language:

english

File:

PDF, 753 KB

english, 2013