CHBC Faculty Publications

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Author: Pranata, Julianto

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TitlePublication NamePub. TypeYear
Regio- and stereoselectivity in the Diels-Alder reaction of vinylallenes with acrolein: an ab initio studyJournal of Molecular Structure-TheochemJournal Article1999
Theoretical study of 1,3-dipolar cycloadditions of nitrone and fulminic acid with substituted ethylenesJournal of Computational ChemistryJournal Article1998
Reaction pathways for proton exchange between protonated formamide and waterJournal of Molecular Structure-TheochemJournal Article1998
Sulfur aromatic interactions: A computational study of the dimethyl sulfide benzene complexBioorganic ChemistryJournal Article1997
Monte Carlo simulations of guanidinium acetate and methylammonium acetate ion pairs in waterBioorganic ChemistryJournal Article1997
The ene reaction: Comparison of results of Hartree-Fock, Moller-Plesset, CASSCF, and DFT calculationsInternational Journal of Quantum ChemistryJournal Article1997
Ab initio transition structures for the Diels-Alder reaction between vinylallenes and acroleinAbstracts of Papers, 212nd ACS National Meeting, Orlando, FL, August 25-29, 1996Abstract1996
Reactions pathways for Michael additions of enaminesAbstracts of Papers, 212nd ACS National Meeting, Orlando, FL, August 25-29, 1996Abstract1996
Regiochemistry of the 1,3-dipolar cycloadditon reaction of nitrone with substituted ethyleneAbstracts of Papers, 212nd ACS National Meeting, Orlando, FL, August 25-29, 1996Abstract1996
Conformational and tautomeric equilibria of formohydroxamic acid in the gas phase and in aqueous solutionJournal of Molecular Structure-TheochemJournal Article1996
Computational investigations of carbonyl reactions: Comparison between nucleophilic addition versus enolate formation in the reaction of acetaldehyde with hydroxide ionJournal of Physical Organic ChemistryJournal Article1996
Secondary deuterium isotope effects for enolization reactionsJournal of the American Chemical SocietyJournal Article1996
A Computational Model for the Stereoelectronic Effects of Carboxylate Lone PairsBioorganic ChemistryJournal Article1995
Reexamination of the conformations of dimethyl phosphate anion in waterJournal of Molecular Structure-TheochemJournal Article1995
Ab initio conformational analysis of alanineJournal of Molecular Structure-TheochemJournal Article1995
Computational Investigations of Reactive Intermediates in the Acid-Catalyzed Proton-Exchange in FormamideJournal of Physical ChemistryJournal Article1995
Ab-Initio Study of the Base-Promoted Hydrolysis of N-MethylformamideJournal of Physical ChemistryJournal Article1995
Nature of Denaturing Agents - Monte-Carlo Simulations of Bimolecular Complexes Involving Urea and N-Methylacetamide in Aqueous-SolutionJournal of Physical ChemistryJournal Article1995
Empirical-Evaluation of the Influence of Side-Chains on the Conformational Entropy of the Polypeptide BackboneProteins-Structure Function and GeneticsJournal Article1995
Secondary Deuterium-Isotope Effects on Enolization Reactions - Hyperconjugation Effects and Coupled Hydrogen MotionAbstracts of Papers, 207th ACS National Meeting and Exposition, San Diego, CA, March 13-17, 1994Abstract1994
Catalytic-Hydrogenation of [2.2]paracyclophane - Unsaturated IntermediatesJournal of Organic ChemistryJournal Article1994
Tautomeric Equilibria of 3-Hydroxypyrazole in the Gas-Phase and in Solution - a Theoretical-Study Combining Ab-Initio Quantum-Mechanics and Monte-Carlo Simulation MethodsJournal of Physical ChemistryJournal Article1994
Ab Initio Study of the Base-Catalyzed-Hydrolysis of Methyl FormateJournal of Physical ChemistryJournal Article1994
Relative Basicities of Carboxylate Lone Pairs in Aqueous-SolutionJournal of Computational ChemistryJournal Article1993
Calculation of Nonlinear-Optical Properties of Pyridinium CyclopentadienylidesJournal of Physical Organic ChemistryJournal Article1993
Spin Preferences of Conjugated Polyradicals - the Disjoint Nbmo AnalysisJournal of the American Chemical SocietyJournal Article1992