Works matching IS 02599791 AND DT 2012 AND VI 50 AND IP 7

Results: 20

HOA (Heaviside Operational Ansatz) revisited: recent remarks on novel exact solution methodologies in wavefunction analysis.

Published in:

Journal of Mathematical Chemistry, 2012, v. 50, n. 7, p. 1931, doi. 10.1007/s10910-012-0012-z

By:

Simpao, Valentino

Publication type:

Article

Combined small scale high dimensional model representation.

Published in:

Journal of Mathematical Chemistry, 2012, v. 50, n. 7, p. 2023, doi. 10.1007/s10910-012-0018-6

By:

Özay, Evrim;
Demiralp, Metin

Publication type:

Article

Classification of nodal pockets in many-electron wave functions via machine learning.

Published in:

Journal of Mathematical Chemistry, 2012, v. 50, n. 7, p. 2043, doi. 10.1007/s10910-012-0019-5

By:

LeDell, Erin;
Prabhat;
Zubarev, Dmitry;
Austin, Brian;
Lester, William

Publication type:

Article

Enumeration of polycarborane isomers: especially dicarboranes.

Published in:

Journal of Mathematical Chemistry, 2012, v. 50, n. 7, p. 2012, doi. 10.1007/s10910-012-0017-7

By:

Rosenfeld, Vladimir;
Klein, Douglas;
Oliva, Josep

Publication type:

Article

Calculating probabilities without quadrature.

Published in:

Journal of Mathematical Chemistry, 2012, v. 50, n. 7, p. 2051, doi. 10.1007/s10910-012-0020-z

By:

Killingbeck, J.;
Lakhlifi, A.

Publication type:

Article

A new hybrid two-step method with vanished phase-lag and its first and second derivatives for the numerical solution of the Schrödinger equation and related problems.

Published in:

Journal of Mathematical Chemistry, 2012, v. 50, n. 7, p. 1861, doi. 10.1007/s10910-012-0008-8

By:

Alolyan, Ibraheem;
Simos, T.

Publication type:

Article

Information-theoretical complexity for the hydrogenic identity S2 exchange reaction.

Published in:

Journal of Mathematical Chemistry, 2012, v. 50, n. 7, p. 1882, doi. 10.1007/s10910-012-0009-7

By:

Molina-Espíritu, Moyocoyani;
Esquivel, Rodolfo;
Angulo, Juan;
Antolín, Juan;
Dehesa, Jesús

Publication type:

Article

Solutions of the Schrödinger equation in the tridiagonal representation with the noncentral electric dipole plus a novel angle-dependent component.

Published in:

Journal of Mathematical Chemistry, 2012, v. 50, n. 7, p. 1988, doi. 10.1007/s10910-012-0015-9

By:

Huang-Fu, Guo-Qing;
Zhang, Min-Cang

Publication type:

Article

Scaling laws in simple and complex proteins: size scaling effects associated with domain number and folding class.

Published in:

Journal of Mathematical Chemistry, 2012, v. 50, n. 7, p. 1901, doi. 10.1007/s10910-012-0010-1

By:

Rogerson, Parker;
Arteca, Gustavo

Publication type:

Article

A scalable algorithm for molecular property estimation in high dimensional scaffold-based libraries.

Published in:

Journal of Mathematical Chemistry, 2012, v. 50, n. 7, p. 1765, doi. 10.1007/s10910-012-0005-y

By:

Izmailov, Sofia;
Feng, XiaoJiang;
Li, Genyuan;
Rabitz, Herschel

Publication type:

Article

D-MORPH regression for modeling with fewer unknown parameters than observation data.

Published in:

Journal of Mathematical Chemistry, 2012, v. 50, n. 7, p. 1747, doi. 10.1007/s10910-012-0004-z

By:

Li, Genyuan;
Rey-de-Castro, Roberto;
Rabitz, Herschel

Publication type:

Article

Stereoisograms of trigonal bipyramidal compounds: II. RS-stereogenicity/ RS-stereoisomerism versus stereogenicity/stereoisomerism, leading to a revised interpretation of Berry's pseudorotation.

Published in:

Journal of Mathematical Chemistry, 2012, v. 50, n. 7, p. 1815, doi. 10.1007/s10910-012-0007-9

By:

Fujita, Shinsaku

Publication type:

Article

Approximate analytical solutions of a two-term diatomic molecular potential with centrifugal barrier.

Published in:

Journal of Mathematical Chemistry, 2012, v. 50, n. 7, p. 1920, doi. 10.1007/s10910-012-0011-0

By:

Arda, Altuğ;
Sever, Ramazan

Publication type:

Article

Stereoisograms of trigonal bipyramidal compounds: I. Chirality and RS-stereogenicity free from the conventional 'chirality' and 'stereogenicity'.

Published in:

Journal of Mathematical Chemistry, 2012, v. 50, n. 7, p. 1791, doi. 10.1007/s10910-012-0006-x

By:

Fujita, Shinsaku

Publication type:

Article

Moments of powers of the Hulthén density.

Published in:

Journal of Mathematical Chemistry, 2012, v. 50, n. 7, p. 1707, doi. 10.1007/s10910-012-0014-x

By:

Glasser, M.;
Nagy, I.

Publication type:

Article

Analytical solutions of Schrödinger equation for the diatomic molecular potentials with any angular momentum.

Published in:

Journal of Mathematical Chemistry, 2012, v. 50, n. 7, p. 1973, doi. 10.1007/s10910-012-0013-y

By:

Akcay, Huseyin;
Sever, Ramazan

Publication type:

Article

Phase fitted symplectic partitioned Runge-Kutta methods for the numerical integration of the Schrödinger equation.

Published in:

Journal of Mathematical Chemistry, 2012, v. 50, n. 7, p. 1736, doi. 10.1007/s10910-012-0003-0

By:

Monovasilis, Th.

Publication type:

Article

Partition of symmetric powers of G-sets into orbits: application to the enumeration of force constants.

Published in:

Journal of Mathematical Chemistry, 2012, v. 50, n. 7, p. 1727, doi. 10.1007/s10910-012-0002-1

By:

Torres, Emilio

Publication type:

Article

Multivariate data modelling through Piecewise generalized HDMR method.

Published in:

Journal of Mathematical Chemistry, 2012, v. 50, n. 7, p. 1711, doi. 10.1007/s10910-012-0001-2

By:

Tunga, M.;
Demiralp, Metin

Publication type:

Article

Modeling of electrocatalysis at chemically modified electrodes: a combination of second-order and Michaelis-type chemical kinetics.

Published in:

Journal of Mathematical Chemistry, 2012, v. 50, n. 7, p. 2001, doi. 10.1007/s10910-012-0016-8

By:

Puida, Mantas;
Malinauskas, Albertas;
Ivanauskas, Feliksas

Publication type:

Article