Volume 19; Issue 4

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Computers & Chemistry
Volume 19; Issue 4

Computers & Chemistry

Volume 19; Issue 4

1

The computation of RKR potential energy curves of diatomic molecules using mathematica

Journal:

Computers & Chemistry

Year:

1995

Language:

english

File:

PDF, 188 KB

english, 1995

2

Program polar 1: Simulator of voltammograms

Weiguang Huang, Brynn Hibbert

Journal:

Computers & Chemistry

Year:

1995

Language:

english

File:

PDF, 68 KB

english, 1995

3

Protein folds and functional similarity; The Greek key/immunoglobulin fold

M. James, C. Crabbe, Derek Goode

Journal:

Computers & Chemistry

Year:

1995

Language:

english

File:

PDF, 911 KB

english, 1995

4

Application of the truncated singular value decomposition method to the obtention of rovibrational population distributions from electronic spectra of diatomic molecules

J. Ruiz, M. Martin

Journal:

Computers & Chemistry

Year:

1995

Language:

english

File:

PDF, 1.44 MB

english, 1995

5

Computerized enumeration of staggered alkane conformers

J. Brunvoll, B.N. Cyvin, E. Brendsdal, S.J. Cyvin

Journal:

Computers & Chemistry

Year:

1995

Language:

english

File:

PDF, 774 KB

english, 1995

6

Applications of the terminate and stay resident programming technique for enhancing chemical measurements

K.Y. Tam, F.T. Chau

Journal:

Computers & Chemistry

Year:

1995

Language:

english

File:

PDF, 482 KB

english, 1995

7

Recursive computation of Hamiltonian matrix elements using harmonic oscillator eigenfunctions: Application to the inversion of ammonia and to the methyl torsion + aldehydic hydrogen wagging of acetaldehyde

Alfonso Niño, Camelia Muñoz-Caro

Journal:

Computers & Chemistry

Year:

1995

Language:

english

File:

PDF, 795 KB

english, 1995

8

A convenient spreadsheet approach to the calculation of stability constants and the simulation of kinetics

Jurriaan Huskens, Herman Van Bekkum, Joop A. Peters

Journal:

Computers & Chemistry

Year:

1995

Language:

english

File:

PDF, 770 KB

english, 1995

9

Pressure dependence of the transverse optical mode Grüneisen parameter of crystals

L. Tribe, R.M. Fracchia, J.A.O. Bruno, A. Batana

Journal:

Computers & Chemistry

Year:

1995

Language:

english

File:

PDF, 511 KB

english, 1995

10

Numerical stability of the Saul'yev finite difference algorithms for electrochemical kinetic simulations: Matrix stability analysis for an example problem involving mixed boundary conditions

Lesław K. Bieniasz, Ole Østerby, Dieter Britz

Journal:

Computers & Chemistry

Year:

1995

Language:

english

File:

PDF, 1.21 MB

english, 1995

11

An algorithm for the computation of the hyper-Wiener index for the characterization and discrimination of branched acyclic molecules

W. Linert, F. Renz, K. Kleestorfer, I. Lukovits

Journal:

Computers & Chemistry

Year:

1995

Language:

english

File:

PDF, 483 KB

english, 1995

12

Numerical stability of finite difference algorithms for electrochemical kinetic simulations. Matrix stability analysis of the classic explicit, fully implicit and Crank-Nicolson methods, extended to the 3- and 4-point gradient approximation at the electrodes

Lesław K. Bieniasz, Ole Østerby, Dieter Britz

Journal:

Computers & Chemistry

Year:

1995

Language:

english

File:

PDF, 447 KB

english, 1995

13

Program seppeak 1.1: Separator of overlapping peaks

Weiguang Huang, Brynn Hibbert

Journal:

Computers & Chemistry

Year:

1995

Language:

english

File:

PDF, 84 KB

english, 1995

14

Dynamic modeling: Bruce Hannon and Ruth Matthias. Springer-Verlag, Heidelberg (1994). ISBN 3-540-94287-4, 248 pp. Hardback DM 98.00

Journal:

Computers & Chemistry

Year:

1995

Language:

english

File:

PDF, 81 KB

english, 1995

15

List of contents and author index

Journal:

Computers & Chemistry

Year:

1995

Language:

english

File:

PDF, 322 KB

english, 1995