Croatica Chemica Acta, Vol. 56 No. 2, 1983.
Izvorni znanstveni članak
The Use of a Micro-Computer as an Aid to Theoretical Calculations
Edward Cameron Kirby
; Resource Use Institute, Balrobin, Pitiochry PH16 5HT, Scotland
Sažetak
Ways in which 'micro-' or 'personal' computers can be used to
assist energy calculations for conjugated systems are discussed,
using as an example programs written in the high-level language
BASIC applied to simple Htickel theory. The aim of the work is
to develop short, easily understood, routines which can be used in
a flexible way, especially by the occasional user who lacks ready
access to large computing facilities.
Ključne riječi
Hrčak ID:
194228
URI
Datum izdavanja:
30.6.1983.
Posjeta: 411 *