S. Bunte

发表

Artificial protein cavities as specific ligand-binding templates: characterization of an engineered heterocyclic cation-binding site that preserves the evolved specificity of the parent protein.

D. Goodin, R. Musah, G. Jensen, 2002, Journal of molecular biology.

Molecular Modeling of Energetic Materials: The Parameterization and Validation of Nitrate Esters in the COMPASS Force Field

S. Bunte, Huai Sun, 2000 .

Variation in strength of an unconventional C-H to O hydrogen bond in an engineered protein cavity

D. McRee, D. Goodin, R. Musah, 1997 .

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

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

Computational Chemistry Modeling of the Atmospheric Fate of Toxic Industrial Compounds (TICs)

D. Burns, K. Runge, S.W. Bunte, 2007, 2007 DoD High Performance Computing Modernization Program Users Group Conference.

Theoretical determination of the vibrational absorption and Raman spectra of 3-methylindole and 3-methylindole radicals

S. Suhai, R. Nieminen, C. Chabalowski, 2001 .

Density Functional and MP2 Calculations of Spin Densities of Oxidized 3-Methyl Indole. Models for Tryptophan Radicals.

D. Goodin, G. Jensen, S. Bunte, 1996 .

A liposomal dispersion formulation of propofol: formulation, pharmacokinetics, stability, and identification of an oxidative degradant

G. Jensen, S. Bunte, C. S. Ashvar, 2008 .

Laser Raman Studies Related to Liquid Propellants: Structural Characteristics Inferred from the Nitrate Anion Spectra.

J. A. Vanderhoff, S. Bunte, Philip M. Donmoyer, 1986 .

Temperature and concentration profiles in hydrogennitrous oxide flames

J. A. Vanderhoff, A. J. Kotlar, S. Bunte, 1986 .

Measurement of franck-condon factors for the υ′= 0 progression in the BX system of PO

A. J. Kotlar, S. Bunte, W. R. Anderson, 1984 .

Lasar-excited fluorescence of PO from organophosphonate esters

A. J. Kotlar, S. Bunte, W. Anderson, 1983 .

Energetics of Cation Radical Formation at the Proximal Active Site Tryptophan of Cytochrome c Peroxidase and Ascorbate Peroxidase

A. Warshel, D. Goodin, G. Jensen, 1998 .

New synthesis, crystal structure, and vibrational spectra of tetramethylammonium azide and reactions of the fluoride anion with hydrazoic acid and of the azide anion with hydrogen fluoride

S. Bunte, K. Christe, W. Wilson, 1992 .

Ab initio study of the weakly bonded carbonyl-chlorine molecule complex

C. Chabalowski, S. Bunte, C. Wittig, 1993 .

Infrared absorption spectroscopy of the weakly bonded carbon monoxide-chlorine complex

S. Bunte, Z. Huang, C. Wittig, 1992 .

Atomistic Simulations of the Physical Properties of Nitrate Esters

S. Bunte, Martin S. Miller, 2001 .

A pseudoatom approach to molecular truncation: application in ab initio MBPT methods.

S. Bunte, K. Runge, Decarlos Taylor, 2006, The journal of physical chemistry. A.

FORMIC ACID INVESTIGATION FOR THE PREDICTION OF HIGH EXPLOSIVE DETONATION PROPERTIES AND PERFORMANCE

B. Rice, S. Bunte, E. Byrd, 2010 .