Group Projects
Group 1:
The Fock-ing Computational Chemists (Mike &
Graeme)
Project #1:
Ab Initio Study of the Thio-Ene
Reaction. 1. The Enophile Substituent Effect.
Peer Review Evaluation=88
Summa Cum Laude
Project #2:
Intermolecular Dimerization
Energies:
MP2/6-311G** Calculations of the Dimerization of
Chlorobenzene..
Peer Review Evaluation=88.5
Summa Cum Laude
Group 2:
Nitrosamine (Wenge & Jianzheng)
Project #1:
Ab initio Computational Study of the
Stereocontrolled
Intramolecular Hetero-Michael Addition to
2,3-Disubstituted Tetrahydropyrans.
Peer Review Evaluation=83
Cum Laude
Project #2:
Ab initio Investigation of
Intermediate Dissociation Modes
in Nitrosation of Imidazoline and
Oxazoline.
Peer Review
Evaluation=81.5 Cum Laude
Group 3:
The Hueckelberries (Bruce & Sang)
Project #1:
An ab Initio theoretical study about
the dimerization of
cyclobutadiene using CASSCF computational
methods.
Peer Review Evaluation=82
Cum Laude
Project #2:
EHMO study of the charge
distribution
in [AuL]3NNR2+
as a function of the N-N-Au angle
Peer Review Evaluation=80
Cum Laude
Group 4:
The Hamiltonophiles (Leonid & Lixin)
Project #1:
Experimental and Computational Studies of
the Structures
and Energetics of Cyclooctatetraene an Its
Derivatives
Peer Review Evaluation=83
Cum Laude
Project #2:
Ab initio investigation of reaction
between 1,2-dithiolan-3-one 1-oxide and thiol:
studies related to the
mechanism of action of antitumor antibiotic leinamycin..
Peer Review Evaluation=85
Summa Cum Laude
Group 5:
O-Methylation (Emma &
Hongbin)
Project #1:
Use of Becke3LYP in the Determination
of the Structure of o-Benzyne.
Peer Review Evaluation=83
Cum Laude
Project #2:
Use of Unrestricted Hartree Fock
Computational Theory
in the Investigation of the Activation Pathway
of Dimethylnitrosamine
Peer Review
Evaluation=83.3 Cum Laude