MOLECULAR MODELING IN ENGINEERING DESIGN AND MATERIALS DEVELOPMENT

Authors
MATHIAS PM CHENG H COOK SJ KLOTZ HC PAREKH VS
Citation
Pm. Mathias et al., MOLECULAR MODELING IN ENGINEERING DESIGN AND MATERIALS DEVELOPMENT, Fluid phase equilibria, 116(1-2), 1996, pp. 225-236
Citations number
70
Categorie Soggetti
Engineering, Chemical","Chemistry Physical
Journal title
Fluid phase equilibria → ACNP
ISSN journal
03783812
Volume
116
Issue
1-2
Year of publication
1996
Pages
225 - 236
Database
ISI
SICI code
0378-3812(1996)116:1-2<225:MMIEDA>2.0.ZU;2-1
Abstract
Due to the recent developments in computer hardware, theoretical metho ds and software, molecular modeling is emerging as a practical tool fo r the chemical industry. What has been accomplished, and how can molec ular modeling provide significant value to industry in the future? We study these questions by grouping the applications of molecular modeli ng into engineering design and materials development.