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Refinado por: Nome da Publicação: Journal Of Molecular Structure. Theochem remover
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INTRAMOLECULAR HYDROGEN-BONDING OF A HYDROXY PROTON TO INDENIDE AND FLUORENIDE CARBANIONS STUDIED BY AM1 AND MNDO-PM3 SEMIEMPIRICAL METHODS - COMPARISON OF CALCULATED OH STRETCHING FREQUENCIES WITH EXPERIMENTAL-DATA
INTRAMOLECULAR HYDROGEN-BONDING OF A HYDROXY PROTON TO INDENIDE AND FLUORENIDE CARBANIONS STUDIED BY AM1 AND MNDO-PM3 SEMIEMPIRICAL METHODS - COMPARISON OF CALCULATED OH STRETCHING FREQUENCIES WITH EXPERIMENTAL-DATA
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INTRAMOLECULAR HYDROGEN-BONDING OF A HYDROXY PROTON TO INDENIDE AND FLUORENIDE CARBANIONS STUDIED BY AM1 AND MNDO-PM3 SEMIEMPIRICAL METHODS - COMPARISON OF CALCULATED OH STRETCHING FREQUENCIES WITH EXPERIMENTAL-DATA

MCEWEN

Journal of molecular structure. Theochem, 1992-12, Vol.95, p.141-147

AMSTERDAM: Elsevier

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2
Intramolecular hydrogen bonding of a hydroxy proton to indenide and fluorenide carbanions studied by AM1 and MNDO-PM3 semi-empirical methods. Comparison of calculated OH stretching frequencies with experimental data
Intramolecular hydrogen bonding of a hydroxy proton to indenide and fluorenide carbanions studied by AM1 and MNDO-PM3 semi-empirical methods. Comparison of calculated OH stretching frequencies with experimental data
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Intramolecular hydrogen bonding of a hydroxy proton to indenide and fluorenide carbanions studied by AM1 and MNDO-PM3 semi-empirical methods. Comparison of calculated OH stretching frequencies with experimental data

McEwen, Ian

Journal of molecular structure. Theochem, 1992-12, Vol.276, p.141-147

Amsterdam: Elsevier B.V

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3
MNDO/PM3 theoretical study of polymerization initiators: application to benzophenol-ketyl radical
MNDO/PM3 theoretical study of polymerization initiators: application to benzophenol-ketyl radical
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MNDO/PM3 theoretical study of polymerization initiators: application to benzophenol-ketyl radical

Smeyers, Y.G. ; Al-Hakakk, M.Taki ; Montero, L.A.

Journal of molecular structure. Theochem, 1995-05, Vol.335 (1), p.205-213

Elsevier B.V

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4
MNDO-PM3 study on gas-phase alkaline hydrolysis of phosphoryl and thiophosphoryl fluorides
MNDO-PM3 study on gas-phase alkaline hydrolysis of phosphoryl and thiophosphoryl fluorides
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MNDO-PM3 study on gas-phase alkaline hydrolysis of phosphoryl and thiophosphoryl fluorides

Katagi, T.

Journal of molecular structure. Theochem, 2001-03, Vol.538 (1), p.157-164

Elsevier B.V

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5
MNDO-PM3 investigation of molecule and ion hydration Part 1. Geometry and thermodynamics of H(H 2O) n+ water clusters
MNDO-PM3 investigation of molecule and ion hydration Part 1. Geometry and thermodynamics of H(H 2O) n+ water clusters
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MNDO-PM3 investigation of molecule and ion hydration Part 1. Geometry and thermodynamics of H(H 2O) n+ water clusters

Gorb, L.G. ; Ivashchenko, S.A. ; Goncharuk, V.V.

Journal of molecular structure. Theochem, 1995-02, Vol.331 (3), p.235-244

Elsevier B.V

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6
MNDO-PM3 and AM1 studies of heats of formation of aliphatic and alicyclic aldehydes, ketones and nitriles
MNDO-PM3 and AM1 studies of heats of formation of aliphatic and alicyclic aldehydes, ketones and nitriles
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MNDO-PM3 and AM1 studies of heats of formation of aliphatic and alicyclic aldehydes, ketones and nitriles

Hernández-Laguna, A. ; Alguacil, R. ; Abboud, J.-L.M. ; Smeyers, Y.G.

Journal of molecular structure. Theochem, 1993, Vol.282 (1), p.33-41

Elsevier B.V

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7
MNDO-PM3 and AM1 studies of heats of formation of aliphatic and alicyclic aldehydes, ketones and nitriles: Theoretical chemistry 1991
MNDO-PM3 and AM1 studies of heats of formation of aliphatic and alicyclic aldehydes, ketones and nitriles: Theoretical chemistry 1991
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MNDO-PM3 and AM1 studies of heats of formation of aliphatic and alicyclic aldehydes, ketones and nitriles: Theoretical chemistry 1991

HERNANDEZ-LAGUNA, A ; ALGUACIL, R ; ABBOUD, J.-L. M ; SMEYERS, Y. G

Journal of molecular structure. Theochem, 1993, Vol.282 (1-2), p.33-41

Amsterdam: Elsevier Science

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8
Correlating ground and excited state properties: a quantum chemical study of the photodissociation of the C–N bond in N-substituted anilines
Correlating ground and excited state properties: a quantum chemical study of the photodissociation of the C–N bond in N-substituted anilines
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Correlating ground and excited state properties: a quantum chemical study of the photodissociation of the C–N bond in N-substituted anilines

Budyka, Mikhayl F. ; Zyubina, Tatyana S. ; Zarkadis, Antonios K.

Journal of molecular structure. Theochem, 2002-10, Vol.594 (1), p.113-125

Elsevier B.V

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9
Theoretical studies of hydrogen-bonded complexes using semiempirical methods
Theoretical studies of hydrogen-bonded complexes using semiempirical methods
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Theoretical studies of hydrogen-bonded complexes using semiempirical methods

Coitiño, Elena L. ; Irving, Kenneth ; Rama, José ; Iglesias, Adriana ; Paulino, Margot ; Ventura, Oscar N.

Journal of molecular structure. Theochem, 1990-11, Vol.210, p.405-426

Elsevier B.V

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10
Quantum chemical calculations of linear cumulene chains
Quantum chemical calculations of linear cumulene chains
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Quantum chemical calculations of linear cumulene chains

Mölder, U. ; Burk, P. ; Koppel, I.A.

Journal of molecular structure. Theochem, 2004-12, Vol.712 (1), p.81-89

Elsevier B.V

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