CHBC Faculty Publications

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Author: vanAlsenoy, Christian

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TitlePublication NamePub. TypeYear
Ab initio geometry refinement of some selected structures of the model dipeptide N-acetyl N'-methyl serine amideJournal of Molecular Structure-TheochemJournal Article1987
Abinitio Study on the Molecular-Structure of the Naphthalene Metabolite, Trans-1,2-Dihydroxy-1,2-DihydronaphthaleneCarcinogenesisJournal Article1984
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
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 .23. Molecular-Structures and Conformational-Analysis of the Dipeptide N-Acetyl-N'-Methyl Glycyl Amide and the Significance of Loca Geometries for Peptide StructuresJournal of Chemical PhysicsJournal Article1982
Abinitio Studies of Structural Features Not Easily Amenable to Experiment .17. The Molecular-Structures of Some Strained Cyclic Hydrocarbons and Estimates of Their Strain EnergiesJournal of Computational ChemistryJournal Article1982
Abinitio Studies of Structural Features Not Easily Amenable to Experiment .19. Molecular-Structures and Conformational-Analysis of 2-Aminoethanol.Journal of Molecular Structure-TheochemJournal Article1982
Abinitio Studies of Structural Features Not Easily Amenable to Experiment .16. Some Characteristic Structural Aspects of Non-Cyclic Hydrocarbons.Journal of Molecular Structure-TheochemJournal Article1982
Estimates for Systematic Empirical Corrections of Consistent 4-21g Abinitio Geometries and Their Correlations to Total Energy Group Increments.Journal of Molecular Structure-TheochemJournal Article1982
Abinitio Studies of Structural Features Not Easily Amenable to Experiment .15. The Influence of Solvation on Molecular-Structure in Some Formic-Acid and Carbonic-Acid Hydrates.Journal of Molecular Structure-TheochemJournal Article1982
Abinitio Studies of Structural Features Not Easily Amenable to Experiment .20. Structural Aspects of Ethyl Groups.Journal of Molecular Structure-TheochemJournal Article1982
Abinitio Studies of Structural Features Not Easily Amenable to Experiment .24. Molecular-Structures and Conformational-Analyses of the Methyl-Esters of Formic-Acid, Acetic-Acid and Alanine.Journal of Molecular Structure-TheochemJournal Article1982
Abinitio Studies of Structural Features Not Easily Amenable to Experiment .8. The Structural Consequences of the Anomeric Effect in Compounds with Disubstituted Tetrahedral Carbon-Atoms.Journal of Molecular Structure-TheochemJournal Article1981
Abinitio Studies of Structural Features Not Easily Amenable to Experiment .14. Complete Abinitio Equilibrium Structures of Some Conformations of Dimethoxymethane.Journal of Molecular Structure-TheochemJournal Article1981
Abinitio Studies of Structural Features Not Easily Amenable to Experiment .7. Molecular-Structure and Conformational-Analysis of Urea and Carbamic Acid.Journal of Molecular Structure-TheochemJournal Article1981
Abinitio Studies of Structural Features Not Easily Amenable to Experiment .13. Structural Consequences of Methyl Hyper-Conjugation in Some Ch3c(=X)Y Systems.Journal of Molecular Structure-TheochemJournal Article1981
Abinitio Studies of Structural Features Not Easily Amenable to Experiment .6. Quantitative Estimate of the Effect of Bond Delocalization on Structure and Hyperconjugative Interaction of the Amide Group.Journal of Molecular Structure-TheochemJournal Article1981
Abinitio Studies of Structural Features Not Easily Amenable to Experiment .4. Molecular structure and conformational analysis of carbonic acid.Journal of Molecular Structure-TheochemJournal Article1981
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 Studies of Structural Features Not Easily Amenable to Experiment .12. The Molecular-Structure of Bicyclo(2.1.0)Pentane and the Usefulness of Abinitio Geometries in Interpreting Microwave Rs-Structure Model UncertaintiesJournal of Chemical PhysicsJournal Article1981
Abinitio Studies of Structural Features Not Easily Amenable to Experiment - the Molecular-Structures of 2 Low-Energy Forms of Unionized SerineChemical Physics LettersJournal Article1981
Abinitio Studies of Structural Features Not Easily Amenable to Experiment .10. Correlation between Thermal Reactivity and Equilibrium Structure of Tricyclo [3.1.0.02,4]HexaneTetrahedron LettersJournal Article1981
Abinitio Studies of Structural Features Not Easily Amenable to Experiment .9. Molecular-Structure and Conformational-Analysis of Hydrazine and Methyl-HydrazineBulletin Des Societes Chimiques BelgesJournal Article1980