CHBC Faculty Publications

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Author: Klimkowski, Valentine Joseph

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TitlePublication NamePub. TypeYear
Abinitio Studies of Structural Features Not Easily Amenable to Experiment. Part 71. Conformational analysis and structural study of valine and threonineJournal of Molecular Structure-TheochemJournal Article1990
Abinitio Studies of Structural Features Not Easily Amenable to Experiment .69. Conformational-Analysis and Structural Study of Cysteine.Journal of Molecular Structure-TheochemJournal Article1990
Abinitio Studies of Structural Features Not Easily Amenable to Experiment .63. Conformational-Analysis and Structural Study of SerineJournal of Molecular Structure-TheochemJournal Article1988
Ab initio geometry refinement of some selected structures of the model dipeptide N-acetyl N'-methyl serine amideJournal of Molecular Structure-TheochemJournal Article1987
Conformational-Analysis of the Methyl-Ester of Alanine by Gas Electron-Diffraction and Abinitio Geometry Optimization.Journal of Molecular StructureJournal Article1987
Abinitio Studies of Structural Features Not Easily Amenable to Experiment .54. Abinitio Study on the Molecular-Structure of Trans-1,2-Dihydroxy-1,2-Dihydro-8-FluoronaphthaleneCancer LettersJournal Article1986
Predictions of Relative Structural Trends from Abinitio Derived Standard Geometry Functions.Journal of Molecular Structure-TheochemJournal Article1986
Ab initio structural investigation of methyl and ethyl carbamate, and carbamyl cholineJournal of Molecular Structure-TheochemJournal Article1986
Predictions of Structural Trends from Standard Geometry Functions - the Modeling of Some Parameters of 2-Methyl-Propanal and 2,2'-Dimethyl-Propanal from Propanal and AcetaldehydeJournal of Molecular Structure-TheochemJournal Article1985
Abinitio Studies of Structural Features Not Easily Amenable to Experiment .44. Local Geometry Maps and Conformational Transitions between Low-Energy Conformers of N-Acetyl-N'-Methyl Glycine Amide - Anab Initio Study at the 4-21g Level with Gradient RelaxeJournal of Molecular Structure-TheochemJournal Article1985
Abinitio Studies of Structural Features Not Easily Amenable to Experiment - Conformational-Analysis and Molecular-Structures of Valine Methyl-EsterJournal of Molecular Structure-TheochemJournal Article1985
Abinitio Studies of Structural Features Not Easily Amenable to Experiment .41. Molecular Geometries of Hydrogen-Bonded 6-Membered Ring Structures of Glycerol.Journal of Molecular Structure-TheochemJournal Article1985
Abinitio Studies of Structural Features Not Easily Amenable to Experiment .43. Basis set dependence of carbon-oxygen single bonds and comment on the microwave substitution structure of methyl ethyl ether.Journal of Molecular Structure-TheochemJournal Article1985
Abinitio Studies of Structural Features Not Easily Amenable to Experiment .47. Molecular-Structures and Intramolecular Interactions in Dimethyl Cyclohexane IsomersJournal of Computational ChemistryJournal Article1985
Abinitio Studies of Structural Features Not Easily Amenable to Experiment .45. The Effect of Electronegative Atoms on the Structures of Hydrocarbons - Abinitio Calculations on Molecules Containing Fluorine or (Carbonyl) OxygenJournal of Computational ChemistryJournal Article1985
Abinitio Studies of Structural Features Not Easily Amenable to Experiment .42. Molecular Geometries and Conformational-Analysis of MethylbutanoateJournal of Computational ChemistryJournal Article1985
Abinitio Studies of Structural Features Not Easily Amenable to Experiment .30. Conformational-Analysis and Molecular-Structures of Propanal and ButanalJournal of Computational ChemistryJournal Article1984
Abinitio Studies of Structural Features Not Easily Amenable to Experiment .32. Conformational-Analysis and Molecular-Structures of Isopropyl and Ethyl Formate and Comparison with Spectroscopic DataJournal of Computational ChemistryJournal Article1984
Abinitio Studies of Structural Features Not Easily Amenable to Experiment .35. Critical Comparison of the Abinitio and Spectroscopic Methyl-C - H-Bond Length Difference in Acetyl Compounds, Ch3c(=O)XJournal of Computational ChemistryJournal Article1984
Abinitio Studies of Structural Features Not Easily Amenable to Experiment .38. Structural and Conformational Investigations of Propanoic, 2-Methylpropanoic, and Butanoic AcidJournal of Computational ChemistryJournal Article1984
Abinitio Study on the Molecular-Structure of the Naphthalene Metabolite, Trans-1,2-Dihydroxy-1,2-DihydronaphthaleneCarcinogenesisJournal Article1984
Multichannel Densitometry of Gas Electron-Diffraction PatternsApplied SpectroscopyJournal Article1984
Abinitio Studies of Structural Features Not Easily Amenable to Experiment .34. Conformational Transitions and Geometry Differences between Low-Energy Conformers of N-Acetyl-N'-Methyl Alanineamide - an Abinitio Study at the 4-21g Level with Gradient RelaxeBiopolymersJournal Article1984
Abinitio Studies of Structural Features Not Easily Amenable to Experiment .36. Structural Investigation of the Relative Stability of Trans and Gauche Acetylcholine and Comparison with Methyl Acetate.Journal of Molecular Structure-TheochemJournal Article1984
Abinitio Studies of Structural Features Not Easily Amenable to Experiment .39. Conformational-Analysis of Glycine and Alanine.Journal of Molecular Structure-TheochemJournal Article1984
Abinitio Studies of Structural Features Not Easily Amenable to Experiment .40. Structural and Conformational Investigations of 2-Butanone and 2-Pentanone.Journal of Molecular Structure-TheochemJournal Article1984
Abinitio Studies of Structural Features Not Easily Amenable to Experiment .37. Structural and Conformational Investigations of the Dicarbonyls Glyoxal, Biacetyl and Oxalic-Acid.Journal of Molecular Structure-TheochemJournal Article1984
Abinitio Studies of Structural Features Not Easily Amenable to Experiment .28. Comparison of the Observed Ground-State Rotational-Constants of the Methyl-Ester of Glycine with the Rotational-Constants Calculated for Some Planar and Non-Planar Gradient GeoJournal of Molecular Structure-TheochemJournal Article1983
Abinitio Studies of Molecular Geometries .27. Optimized Molecular-Structures and Conformational-Analysis of N-Alpha-Acetyl-N-Methylalaninamide and Comparison with Peptide Crystal Data and Empirical CalculationsJournal of the American Chemical SocietyJournal Article1983
Abinitio Studies of Structural Features Not Easily Amenable to Experiment .25. Conformational-Analysis of Methyl Propanoate and Comparison with the Methyl-Ester of GlycineJournal of Computational ChemistryJournal Article1983
Molecular-Orbital Constrained Electron-Diffraction Studies .4. Conformational-Analysis of the Methyl-Ester of GlycineJournal of the American Chemical SocietyJournal Article1982
Abinitio Studies of Structural Features Not Easily Amenable to Experiment .18. Conformational-Analysis and Molecular-Structure of Glycine Methyl-EsterJournal of Computational ChemistryJournal Article1981
Abinitio Equilibrium Geometry and Conformational-Analysis of Acetamide.Journal of Molecular StructureJournal Article1979
Normal Coordinate Abinitio Force RelaxationChemical Physics LettersJournal Article1978