Volume 18; Issue 2

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Computers & Chemistry
Volume 18; Issue 2

Computers & Chemistry

Volume 18; Issue 2

1

A modified MM2 program for molecular mechanics calculations on coordination compounds

Paul C. Yates, Anna K. Marsden

Journal:

Computers & Chemistry

Year:

1994

Language:

english

File:

PDF, 402 KB

english, 1994

2

Quantitative perturbational molecular orbital analysis of the conformational preference of aniline molecule and its intramolecular force

Journal:

Computers & Chemistry

Year:

1994

Language:

english

File:

PDF, 678 KB

english, 1994

3

Cluster analysis by simulated annealing

Li-Xian Sun, Yu-Long Xie, Xin-Hua Song, Ji-Hong Wang, Ru-Qin Yu

Journal:

Computers & Chemistry

Year:

1994

Language:

english

File:

PDF, 487 KB

english, 1994

4

Typesetting structural formulae with the text formatter TeX/LaTeX

Shinsaku Fujita

Journal:

Computers & Chemistry

Year:

1994

Language:

english

File:

PDF, 595 KB

english, 1994

5

Definition, mathematical examples and quantum chemical applications of nested summation symbols and logical Kronecker deltas

Ramon Carbó, Emili Besalú

Journal:

Computers & Chemistry

Year:

1994

Language:

english

File:

PDF, 999 KB

english, 1994

6

Gates towards evolutionary large-scale optimization: A software-oriented approach to genetic algorithms—I. General perspective

C.B. Lucasius, G. Kateman

Journal:

Computers & Chemistry

Year:

1994

Language:

english

File:

PDF, 1.12 MB

english, 1994

7

Gates towards evolutionary large-scale optimization: A software-oriented approach to genetic algorithms—II. Toolbox description

C.B. Lucasius, G. Kateman

Journal:

Computers & Chemistry

Year:

1994

Language:

english

File:

PDF, 2.05 MB

english, 1994

8

Using molecular representations in combination with neural networks. A case study: Prediction of the HPLC retention index

J.R.M. Smits, W.J. Melssen, G.J. Daalmans, G. Kateman

Journal:

Computers & Chemistry

Year:

1994

Language:

english

File:

PDF, 1.57 MB

english, 1994

9

A new development of the oasis computer system for modeling molecular properties

Ovanes G. Mekenyan, Stoyan H. Karabunarliev, Julian M. Ivanov, Dimitar N. Dimitrov

Journal:

Computers & Chemistry

Year:

1994

Language:

english

File:

PDF, 1.62 MB

english, 1994

10

Coding of chemical structures based on a line notation

Stoyan Karabunarliev, Julian Ivanov, Ovanes Mekenyan

Journal:

Computers & Chemistry

Year:

1994

Language:

english

File:

PDF, 344 KB

english, 1994

11

A computer program for the simulation of Boxcar Integrator and Averager system in luminescence decay kinetic experiments

João B.Marques Novo, Francisco B.T. Pessine

Journal:

Computers & Chemistry

Year:

1994

Language:

english

File:

PDF, 251 KB

english, 1994

12

Game: Genetic algorithm for minimization of energy, an interactive program for three-dimensional intermolecular interactions

Y.L. Xiao, D.E. Williams

Journal:

Computers & Chemistry

Year:

1994

Language:

english

File:

PDF, 270 KB

english, 1994