Sherrill, C. David
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Scan day: 09 February 2014 UTC
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Description: Ab initio and density functional quantum chemistry (Georgia Institute of Technology).
Review article on energy component analysis of π interactions is now available (doi: Delivery address: 311 Ferst Drive NW Phone (Prof. Sherrill): 404-894-4037 Rooms 4201 (Group) and 2100N (Prof. Sherrill)
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Contact Information
Email: —
Phone&Fax: 404-894-4037
Address: —
Extended: —
WEBSITE Info
| Page title: | Sherrill Group |
| Keywords: | quantum, mechanics, theory, scf, ci, cisd, ccsd, dft, computers, chemistry, computational, programming, acetylene, sherrill, C. David, C. D. Sherrill, Georgia Tech, Georgia Institute of Technology, atlanta, molecular modeling, gaussian, q-chem, psi, aces 2, aces II, g94, gaussian94, gaussian98, basis sets, hartree-fock, configuration interaction, coupled cluster, density functional theory, self consistent field, electronic structure |
| Description: | Our goal is to apply the principles of quantum mechanics and electronic structure theory to address problems in physical, organic, inorganic, and biological chemistry. High performance computers are used to solve the complex equations describing the system of interest, yielding predictions of structures, bonding, energetics, reactivity, and other physical properties |
| IP-address: | 130.207.37.140 |
WHOIS Info
| NS | Name Servers: DNS1.GATECH.EDU 128.61.244.253 DNS2.GATECH.EDU 130.207.244.81 |
| WHOIS | |
| Date | activated: 08-May-1986 last updated: 10-Oct-2013 expires: 31-Jul-2014 |