Mark A. Thompson

An Ab Initio Investigation of the Structure and Alkali Metal Cation Selectivity of 18-Crown-6

A theoretical examination of the electronic structure and spectroscopy of the photosynthetic reaction center from Rhodopseudomonas viridis

QM/MMpol: A Consistent Model for Solute/Solvent Polarization. Application to the Aqueous Solvation and Spectroscopy of Formaldehyde, Acetaldehyde, and Acetone

Excited States of the Bacteriochlorophyll b Dimer of Rhodopseudomonas viridis: A QM/MM Study of the Photosynthetic Reaction Center That Includes MM Polarization

The Nature of K+/Crown Ether Interactions: A Hybrid Quantum Mechanical-Molecular Mechanical Study

A theoretical examination of the electronic structure and excited states of the Bacteriochlorophyll b dimer from Rhodopseudomonas viridis

Hybrid quantum mechanical/molecular mechanical force field development for large flexible molecules. A molecular dynamics study of 18-crown-6

Electronic structure of bacteriochlorophyll dimers. 1. Bacteriochlorin models

Effect of a polarizable medium on the charge-transfer states of the photosynthetic reaction center from Rhodopseudomonas viridis

A Theoretical Case Study of Substituent Effects and Microsolvation on the Binding Specificity of Crown Ethers