A5034549017- Molecular spectroscopy and chirality
- Spectroscopy and Quantum Chemical Studies
- Glycosylation and Glycoproteins Research
- Carbohydrate Chemistry and Synthesis
- Various Chemistry Research Topics
- Inorganic and Organometallic Chemistry
- Photochemistry and Electron Transfer Studies
- Advanced Chemical Physics Studies
- Advanced NMR Techniques and Applications
- Analytical Chemistry and Chromatography
- Molecular Junctions and Nanostructures
- Electron Spin Resonance Studies
- Machine Learning in Bioinformatics
- Phase Equilibria and Thermodynamics
- RNA and protein synthesis mechanisms
- Catalysis and Hydrodesulfurization Studies
- Crystallography and molecular interactions
- Nonlinear Optical Materials Research
- NMR spectroscopy and applications
- Advanced Physical and Chemical Molecular Interactions
- Chemical Thermodynamics and Molecular Structure
- Catalysis for Biomass Conversion
- Phenothiazines and Benzothiazines Synthesis and Activities
- Chemical Reaction Mechanisms
- Molecular Spectroscopy and Structure
Stephen F. Austin State University
2019
Chestnut Hill College
2014
Southeast Missouri State University
1990-1999
Monsanto (United States)
1993
South Dakota School of Mines and Technology
1981-1983
Rutgers, The State University of New Jersey
1972-1974
Pennsylvania State University
1971
Bonding in the hypervalent molecules SF4, BrF5, PF5, and SF6 was studied using multicenter bond order indices examination of eigenvalues eigenvectors Fermi holes constituent atoms. Diagonalization provided quantitative validation Musher's categorization hypervalency with SF4 BrF5 representative type I, PF5 belonging to II. The I distinguished between classic two-center two-electron bonds three-center four-electron bonds, whereas results diagonalization for II demonstrated presence...
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTConformation of the glycopeptide linkage in asparagine-linked glycoproteinsC. Allen Bush, Anthony Duben, and Suresh RalapatiCite this: Biochemistry 1980, 19, 3, 501–504Publication Date (Print):February 5, 1980Publication History Published online1 May 2002Published inissue 5 February 1980https://pubs.acs.org/doi/10.1021/bi00544a017https://doi.org/10.1021/bi00544a017research-articleACS PublicationsRequest reuse permissionsArticle...
Four configuration interaction calculations on the D3h H3+ molecule—ion are reported. Two Gaussian lobe basis sets used and made with only doubly substituted configurations also both singly configurations. The best calculation gives an energy of −1.34050 hartree at a fixed internuclear distance 1.6406 bohr. wavefunctions analyzed in terms natural orbitals compared each other some from literature.
Effects of correlation on one-electron distribution and other properties are calculated for the H3+ molecule ion. due to singly substituted doubly configurations essentially additive this closed shell species. The effect is shift charge from molecular center nuclear regions, mainly outside molecule. This rationalized in terms many-electron theory Sinanoğlu. cause a slight electronic contraction similar that caused by initial atomic—molecular formation. Neglect not justified when one seeking...
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTHueckel theory examination of the hydrodesulfurization thiophene and monomethylthiophenesAnthony J. DubenCite this: Phys. Chem. 1978, 82, 3, 348–354Publication Date (Print):February 1, 1978Publication History Published online1 May 2002Published inissue 1 February 1978https://pubs.acs.org/doi/10.1021/j100492a022https://doi.org/10.1021/j100492a022research-articleACS PublicationsRequest reuse permissionsArticle Views126Altmetric-Citations15LEARN ABOUT...
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTVacuum ultraviolet circular dichroism spectrometer and its application to N-acetylamino saccharidesAnthony J. Duben C. Allen. BushCite this: Anal. Chem. 1980, 52, 4, 635–638Publication Date (Print):April 1, 1980Publication History Published online1 May 2002Published inissue 1 April 1980https://pubs.acs.org/doi/10.1021/ac50054a009https://doi.org/10.1021/ac50054a009research-articleACS PublicationsRequest reuse permissionsArticle...
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTCircular dichroism and the conformation of sugars having vicinal diacylamino substituentsC. Allen Bush Anthony DubenCite this: J. Am. Chem. Soc. 1978, 100, 16, 4987–4990Publication Date (Print):August 1, 1978Publication History Published online1 May 2002Published inissue 1 August 1978https://pubs.acs.org/doi/10.1021/ja00484a012https://doi.org/10.1021/ja00484a012research-articleACS PublicationsRequest reuse permissionsArticle...
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTSpatial aspects of homonuclear, proton NMR cross-relaxation. 1. The effects molecular shape and internal motionAnthony J. Duben William C. HuttonCite this: Am. Chem. Soc. 1990, 112, 16, 5917–5924Publication Date (Print):August 1, 1990Publication History Published online1 May 2002Published inissue 1 August 1990https://pubs.acs.org/doi/10.1021/ja00172a004https://doi.org/10.1021/ja00172a004research-articleACS PublicationsRequest reuse...
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTComputer-controlled vacuum ultraviolet circular dichroism spectrometer with Fourier digital data smoothingC. Allen. Bush, Suresh. Ralapati, and Anthony. DubenCite this: Anal. Chem. 1981, 53, 7, 1140–1142Publication Date (Print):June 1, 1981Publication History Published online1 May 2002Published inissue 1 June 1981https://pubs.acs.org/doi/10.1021/ac00230a056https://doi.org/10.1021/ac00230a056research-articleACS PublicationsRequest reuse...