Computers & Chemistry

Title Publication Date Language Citations
Computer-assisted analysis of rotational diffusion fluorescence experiments1995/09/01English
Calculation of the pressure dependence of anion polarizabilities in crystals1999/09/01English
Extended concept of reaction generators in an organic reaction prediction system CSB1998/02/01English
A new numerical procedure to determine the VLE curve2001/09/01English
A new steric substituent constant Ωs based on molecular mechanics calculations1991/01/01English
Parallelization and vectorization of quantum mechanical methods—I. Integral program for polymers and molecules1993/09/01English
Application of biorthogonal wavelet transform to the compression of ultraviolet-visible spectra1999/01/01English
Product review1998/09/01English
Author index1991/01/01English
Applications of artificial intelligence for chemical inference—XX1977/01/01English
General linear regression analysis—application to the electric dipole-moment function of HCl1991/01/01English
A rapid scanning spectrophotometer: Applications to some spectroelectrochemical experiments1991/01/01English
NMR pulse sequence generator for a PC driven spectrometer1998/04/01English
Geometric enclosures: a new notation for chemical symbols1998/04/01English
Theoretical calculations of heavy-atom isotope effects1995/09/01English
Geometric volume and new refrigerants—II. Haloethanes1995/03/01English
Editorial1999/06/01English
Practical evaluation of comparative modelling and threading methods1998/09/01English
Erratum1998/04/01English
Computer driven apparatus for adsorption measurements1995/09/01English
Discussion1998/06/01English
Microcomputer-controlled electrochemical universal meter1995/09/01English
Implementation of commonsense reasoning in organic reaction prediction system CSB1998/02/01English
Application of reaction path concept in intramolecular proton transfer1998/02/01English
Book review1999/11/01English
Automatic ‘balancing’ of chemical equations1995/06/01English
Optimization of spectral band envelopes with the use of variable metric methods1995/09/01English
Book Review2000/01/01
The accurate computation of partition functions in non-rigid molecules1997/01/01English
Editorial1996/03/01