Special Issue "Application of Density Functional Theory"
A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Physical Chemistry, Theoretical and Computational Chemistry".
Deadline for manuscript submissions: closed (31 January 2002)
Dr. Abhijit Chatterjee
BIOVIA Materials Science Principal Scientist, Dassault Systems Biovia K.K.; ThinkPark Tower 21F, 2-1-1 Osaki, Shinagawa-ku; 141-6020 TOKYO, Japan
Interests: density functional theory; material designing; computational chemistry; inorganic catalytic material; catalytic reactions; inorganic membrane; transition state calculation; atomistic simulation; ab initio first principle calculation; reactivity index