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A theoretical study of the molecular mechanism for the oxidation of methanol by PQQ

Journal of the American Chemical Society, 1995-08, Vol.117 (34), p.8807-8815

1995

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On Transition Structures for Hydride Transfer Step: A Theoretical Study of the Reaction Catalyzed by Dihydrofolate Reductase Enzyme

Bioorganic chemistry, 1996-03, Vol.24 (1), p.10-18

1996

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A theoretical study of the effect of basis sets on stationary structures for the addition of carbon dioxide to methylamine: A relation among geometries, energy status, and electronic structures

International journal of quantum chemistry, 1993, Vol.45 (5), p.433-444

1993

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Electronic aspects of LADH catalytic mechanism

International journal of quantum chemistry, 1991-06, Vol.39 (6), p.767-786

1991

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A PM3 Quantum Chemical Study of the Pyruvate Reduction Mechanism Catalyzed by Lactate Dehydrogenase

Bioorganic chemistry, 1993-09, Vol.21 (3), p.260-274

1993

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Quantum Chemical Studies of Pyrroloquinoline Quinone: PM3 Pathways for Methanol Oxidation

Bioorganic chemistry, 1994-03, Vol.22 (1), p.58-71

1994

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Structure of benzamidinium pyruvate

Acta crystallographica. Section C, Crystal structure communications, 1987-11, Vol.43 (11), p.2182-2184

1987

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Comparison of Several Semiempirical and ab Initio Methods for Transition State Structure Characterization. Addition of CO2 to CH3NHCONH2

Journal of physical chemistry (1952), 1994-04, Vol.98 (14), p.3664-3668

1994

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1H NMR spectroscopy as a probe of intermolecular interactions in ?-cyclodextrin inclusion compounds

Journal of Inclusion Phenomena and Molecular Recognition in Chemistry, 1991-03, Vol.10 (2), p.233-239

1991

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Functional derivatives of 2-propenylidene-1,2-dihydropyridine

Tetrahedron letters, 1976-01, Vol.17 (51), p.4763-4764

1976

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Amidine decomposition mechanism. A theoretical study

Journal of molecular structure. Theochem, 1992-02, Vol.254, p.465-472

1992

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Theroretical study of stationary structures of acetamidine unimolecular decomposition

Chemical physics letters, 1990, Vol.169 (6), p.509-512

1990

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Biomimetic models of lactate dehydrogenase

Tetrahedron letters, 1989, Vol.30 (39), p.5315-5318

1989

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Theoretical study of stationary structures of acetamidine unimolecular decomposition

Chemical physics letters, 1990-06, Vol.169 (6), p.509-512

1990

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An ab initio study of the unimolecular decomposition mechanism of formamidine. 4-31G Characterization of potential energy hypersurface

International journal of quantum chemistry, 1991-07, Vol.40 (1), p.127-137

1991

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On a possible invariance of a transition structure to the effects produced by ancillary H-bonding molecules: Modeling the effects of Ser-48 in the hydride-transfer step of liver alcohol dehydrogenase

International journal of quantum chemistry, 1996-01, Vol.57 (2), p.245-257

1996

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Semiempirical MO study of pyruvate substrate behavior in the active center of lactate dehydrogenase

International journal of quantum chemistry, 1983-11, Vol.24 (5), p.479-489

1983

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Molecular orbital study on the active center of lactate dehydrogenase

International journal of quantum chemistry, 1982-06, Vol.21 (6), p.1029-1040

1982

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Pyrimidine-5-carbonitriles from Methyl N-(Aminocarbonyl)- or N-(Aminothiocarbonyl)-imidates

Synthesis (Stuttgart), 1988, Vol.1988 (2), p.122-124

1988

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1H NMR spectroscopy as a probe of intermolecular interactions in β-cyclodextrin inclusion compounds

Journal of inclusion phenomena, 1991, Vol.10 (2), p.233-239

1991

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ChemInform Abstract: Benzamidinium Benzoates

ChemInform, 1990-06, Vol.21 (23), p.no-no

1990

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ChemInform Abstract: Polarographic Reduction of 1‐Benzyl‐N‐(p‐X‐phenyl)‐3‐aminocarbonylpyridinium Salts

ChemInform, 1990-12, Vol.21 (49), p.no-no

1990

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ChemInform Abstract: N,N′‐Diphenylacetamidinium Carboxylates

ChemInform, 1990-06, Vol.21 (23), p.no-no

1990

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ChemInform Abstract: p‐Substituted Benzamidinium Carboxylates

ChemInform, 1990-01, Vol.21 (3), p.no-no

1990

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ChemInform Abstract: Simple Amidinium Carboxylates (I) ‐ An MO Treatment of Molecular Geometry and Electronic Structure

ChemInform, 1989-07, Vol.20 (27), p.no-no

1989

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A theoretical study of the molecular mechanism for the oxidation of methanol by PQQ

On Transition Structures for Hydride Transfer Step: A Theoretical Study of the Reaction Catalyzed by Dihydrofolate Reductase Enzyme

A theoretical study of the effect of basis sets on stationary structures for the addition of carbon dioxide to methylamine: A relation among geometries, energy status, and electronic structures

Electronic aspects of LADH catalytic mechanism

A PM3 Quantum Chemical Study of the Pyruvate Reduction Mechanism Catalyzed by Lactate Dehydrogenase

Quantum Chemical Studies of Pyrroloquinoline Quinone: PM3 Pathways for Methanol Oxidation

Structure of benzamidinium pyruvate

Comparison of Several Semiempirical and ab Initio Methods for Transition State Structure Characterization. Addition of CO2 to CH3NHCONH2

1H NMR spectroscopy as a probe of intermolecular interactions in ?-cyclodextrin inclusion compounds

Functional derivatives of 2-propenylidene-1,2-dihydropyridine

Amidine decomposition mechanism. A theoretical study

Theroretical study of stationary structures of acetamidine unimolecular decomposition

Biomimetic models of lactate dehydrogenase

Theoretical study of stationary structures of acetamidine unimolecular decomposition

An ab initio study of the unimolecular decomposition mechanism of formamidine. 4-31G Characterization of potential energy hypersurface

On a possible invariance of a transition structure to the effects produced by ancillary H-bonding molecules: Modeling the effects of Ser-48 in the hydride-transfer step of liver alcohol dehydrogenase

Semiempirical MO study of pyruvate substrate behavior in the active center of lactate dehydrogenase

Molecular orbital study on the active center of lactate dehydrogenase

Pyrimidine-5-carbonitriles from Methyl N-(Aminocarbonyl)- or N-(Aminothiocarbonyl)-imidates

1H NMR spectroscopy as a probe of intermolecular interactions in β-cyclodextrin inclusion compounds

ChemInform Abstract: Benzamidinium Benzoates

ChemInform Abstract: Polarographic Reduction of 1‐Benzyl‐N‐(p‐X‐phenyl)‐3‐aminocarbonylpyridinium Salts

ChemInform Abstract: N,N′‐Diphenylacetamidinium Carboxylates

ChemInform Abstract: p‐Substituted Benzamidinium Carboxylates

ChemInform Abstract: Simple Amidinium Carboxylates (I) ‐ An MO Treatment of Molecular Geometry and Electronic Structure

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