M. G. Cory

发表

Projected Unrestricted Hartree-Fock Calculations and the Magnetism of Large Nickel Clusters

M. Zerner, G. Estiu, M. G. Cory, 2000 .

A General Reaction Path Dual-Level Direct Dynamics Calculation of the Reaction of Hydroxyl Radical with Dimethyl Sulfide

Piotr Piecuch, P. Piecuch, M. G. Cory, 2000 .

Dual-Level Direct Dynamics of the Hydroxyl Radical Reaction with Ethane and Haloethanes: Toward a General Reaction Parameter Method

A. Sabljić, M. G. Cory, A. Sabljic, 1999 .

A Comparison of Primary and Secondary Hydrogen Abstraction from Organophosphates by Hydroxyl Radical

DeCarlos E. Taylor, S. Bunte, K. Runge, 2013 .

Electronic Excitations in Aggregates of Bacteriochlorophylls

K. Schulten, M. Zerner, Xiche Hu, 1998 .

Effect of Chlorine Substitution on Sulfide Reactivity with OH Radicals

J. Hearn, M. G. Cory, D. Burns, 2008 .

Surface binding of organophosphates on silica: Comparing experiment and theory

DeCarlos E. Taylor, K. Runge, J. Hearn, 2013 .

Vibrational and electronic spectra of matrix‐isolated para‐dichlorobenzene radical cations

M. Zerner, M. Vala, M. G. Cory, 1992 .

Binding of Small Molecules to a Silica Surface: Comparing Experimental and Theoretical Results

DeCarlos E. Taylor, K. Runge, J. Hearn, 2011 .

Computational methods in the design of photocaged compounds. I. Spectroscopic calculations upon substituted isochromenes

N. Richards, M. G. Cory, 1992 .

An intermediate neglect of differential overlap technique for actinide compounds

N. Rösch, M. Zerner, M. Kotzian, 1994 .

Calculated Structures and Electronic Absorption Spectroscopy for Magnesium Phthalocyanine and Its Anion Radical

M. Zerner, M. G. Cory, H. Hirose, 1995 .

Implementation of the IPPP–CLOPPA–INDO/S method for the study of indirect nuclear spin coupling constants and its application to molecules containing tin nuclei

M. Zerner, E. Botek, M. G. Cory, 2000 .

Theoretical studies of some new Anti-Malarial drugs

M. Zerner, C. Thomson, M. G. Cory, 1991 .

An examination of the electronic structure and spectroscopy of high‐ and low‐spin model ferredoxin via several SCF and CI techniques

M. Zerner, M. G. Cory, K. Stavrev, 1997 .

Magneto-infrared spectra of matrix-isolated NiH and NiH2 molecules and theoretical calculations of the lowest electronic states of NiH2

M. Zerner, M. G. Cory, W. Weltner, 1997 .

Predictive modeling of positive mode IMS gas-phase ionization: is 2nd-order Møller-Plesset perturbation theory adequate?

M. G. Cory, D. Burns, J. Vasey, 2010 .

Metal‐Ligand Exchange Coupling in Transition‐Metal Complexes

M. Zerner, M. G. Cory, 2010 .

Metal-ligand exchange coupling in transition-metal complexes

M. Zerner, M. G. Cory, 1991 .

The calculation of thermal rate constants for gas phase reactions: A semiclassical flux–flux autocorrelation function (SCFFAF) approach

Keith A Runge, Rodney J. Bartlett, R. Bartlett, 2001 .

Investigating the structural and electronic properties of nitrile hydratase model iron(III) complexes using projected unrestricted Hartree-Fock (PUHF) calculations.

M. Zerner, N. Richards, M. J. Scott, 2001, Inorganic chemistry.

A Theoretical Study of the [Fe2(μ – S2)(P(o – C6H4S)3)2]2– Electronic Spectrum

M. Zerner, M. G. Cory, K. Stavrev, 1999 .

The transfer Hamiltonian: a tool for large scale simulations with quantum mechanical forces

R. Bartlett, W. Thiel, C. Taylor, 2003 .