Linear scaling geometry optimisation and transition state search in hybrid delocalised internal coordinates

Saved in:
Bibliographic Details
Published in:Physical chemistry chemical physics : PCCP 2000-01, Vol.2 (10), p.2177-2186
Main Authors: BILLETER, S. R, TURNER, A. J, THIEL, W
Format: Article
Language:English
Subjects:
Atomic and molecular physics
Chemistry
Effects of atomic and molecular interactions on electronic structure
Electronic structure of atoms, molecules and their ions: theory
Environmental and solvent effects
Exact sciences and technology
Kinetics and mechanisms
Organic chemistry
Physics
Reactivity and mechanisms
Citations: Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:
ISSN:1463-9076
1463-9084
DOI:10.1039/a909486e