Master Theses

Experiments and Molecular Simulations of Oiling-out phenomenon. Danyang Mei (2009)

Fourth-year research projects

Render a molecule from command line using VMD

export name="1hjm"
export tachyon="/usr/local/lib/vmd/tachyon_LINUX"

Create script using VMD

The result

Contact information

Office: 
Room 071, Lab Room 068, Chemistry Building
Department of Chemistry
The University of Western Ontario
Chemistry Building 
1151 Richmond Street
London, Ontario, N6A 5B7, Canada
Phone: (519) 661-2111 ext. 86338
Email: styliani dot constas at gmail dot com

A tool for people interested in thermodynamics

SklogWiki is a wiki for anyone interested in thermodynamics, statistical mechanics and the computer simulation of materials. As such SklogWiki can be viewed as a collaborative inter- and hyper-linked electronic text book that is instantly up-dateable with the latest research results.

SklogWiki derives its name from an amalgamation of the the word Wiki and the famous equation for entropy: S=k log(W).

Webpage: http://www.sklogwiki.org

Ionization reactions of ion complexes in mesoscopic water clusters

Consta, S; Kapral, R. 1999. Ionization reactions of ion complexes in mesoscopic water clusters. JOURNAL OF CHEMICAL PHYSICS 111 (22): 10183-10191.

Keywords Plus:
MOLECULAR-DYNAMICS SIMULATION; COMPUTER-SIMULATION; POLAR-SOLVENT; PAIR; SOLVATION; DISSOCIATION; ASSOCIATION

Abstract:

Publications

[1] Andrei Buin, Haiyan Wang, Styliani Consta, and Yining Huang. A study of conformational equilibrium of 1,1,2-trichloroethane in FAU-type zeolites. MICROPOROUS AND MESOPOROUS MATERIALS, 183:207-217, JAN 1 2014.

Pages

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