© 1999 Rainer Glaser. All rights reserved.

Group Projects

Student #1: (3,0,0,+1/2) (2,1,-1,+1/2) (2,1,0,+1/2) (4,2,2,+1/2)
The Group Formerly Known as Quantum Numbers - Nancy Vosnidou

Project #1: Using the Reduced-Gradient-Following Method (RGF) to Find
Saddle Points in Potential Energy Surfaces
Presentation
Peer Review Evaluation="91" magna cum laude
Project #2: Determination of the Coordination State(s) of Calcium in Proteins
using ab initio Calculations, Perturbation Theory and Density Functional Methods
.
Peer Review Evaluation="88"

Student #2: Sundeep Rayat
Project #1: Insight into the Mechanism of Addition of Olefins to
ortho-CH Bond of Aromatic Ketones in the Presence of Ruthenium Catalysts
Using Density Functional Theory

Peer Review Evaluation="94" magna cum laude
Project #2: Tautomerization in the Carbodiimide Moiety
of the Pyrimidine Ring Opened Guanine Cation: An Ab Initio Study
.
Peer Review Evaluation="94" magna cum laude

Student #3: Susan Lopez
Project #1: Comparing the Stabilities of [16]- and [14]-Ketonands and Starands:
An Ab Initio Study
Presentation
Peer Review Evaluation="97" summa cum laude
Project #2: Investigating the Bonding Interactions in Copper(I) Coordination Polymers:
A Molecular Orbital Approach and ab Initio Calculations
.
Peer Review Evaluation="93" magna cum laude

Student #4: Iiris Kahn
Project #1: The Study of Photoisomerization of cis-Stilbene using
Molecular Dynamics and Quantum Chemistry Methods.
Answers to Questions
Peer Review Evaluation="82"

Student #5: Zhengyu "Martin" Wu
Project #1: Using Ab initio and DFT calculations to study the electocyclization of
(Z)-Hexa-1,3,5-triene and its heterosubstituted analogues

Peer Review Evaluation="83"
Project #2: Design of Organic Molecules, Oligomers and Polymers
with Increased Hyperpolarizabilities on the Basis of Theoretical Calculations
. (Scheme 2)
Peer Review Evaluation="86"