Global optimization of molecular geometry: a new avenue involving the use of metropolis simulated annealing

Dutta, P. ; Majumdar, D. ; Bhattacharyya, S. P. (1991) Global optimization of molecular geometry: a new avenue involving the use of metropolis simulated annealing Chemical Physics Letters, 181 (4). pp. 293-297. ISSN 0009-2614

Full text not available from this repository.

Official URL: http://linkinghub.elsevier.com/retrieve/pii/000926...

Related URL: http://dx.doi.org/10.1016/0009-2614(91)80073-7

Abstract

The viability of what has been known as the Metropolis simulated-annealing method (MSAM) in the optimization of molecular geometry is tested. The ability of MSAM to seek out the global energy minimum on a potential energy hypersurface with multiple minima is demonstrated in model calculations.

Item Type:Article
Source:Copyright of this article belongs to Elsevier Science.
ID Code:2965
Deposited On:09 Oct 2010 10:27
Last Modified:20 May 2011 11:16

Repository Staff Only: item control page