Computational Chemistry Methods for Predicting the Chiroptical Properties of Liquid Crystal Systems. II. Application to Chiral Azobenzenes
Conference
·
OSTI ID:896263
- Laboratory for Laser Energetics, University of Rochester, Rochester, NY
Advances in computational chemistry hardware and software now make it possible to accurately model and predict physical properties (e.g., electronic spectra and chirality) in terms of hours or days instead of the weeks or months of intensive effort that were required only a few years ago.
- Research Organization:
- Laboratory for Laser Energetics, University of Rochester
- Sponsoring Organization:
- USDOE
- DOE Contract Number:
- FC52-92SF19460
- OSTI ID:
- 896263
- Report Number(s):
- DOE/SF/19460-712; 1675; 2006-61
- Country of Publication:
- United States
- Language:
- English
Similar Records
Application of Conputational Chemistry Methods to the Prediction of Chirality and Helical Twisting Power in Liquid Crystal Systems
Utilizing high performance computing for chemistry: parallel computational chemistry
Advanced computers and simulation
Conference
·
Wed Nov 16 23:00:00 EST 2005
· Liquid Crystals IX, edited by I.-C. Khoo (SPIE, Bellingham, WA, 2005)
·
OSTI ID:859944
Utilizing high performance computing for chemistry: parallel computational chemistry
Journal Article
·
Tue Jun 08 00:00:00 EDT 2010
· Physical Chemistry Chemical Physics. PCCP
·
OSTI ID:1076872
Advanced computers and simulation
Conference
·
Tue Jun 01 00:00:00 EDT 1993
·
OSTI ID:10158542