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Quantum Chemical Study of the Photocoloration Reaction in the Napthoxazine Series

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2006-04, Vol.110 (14), p.4759-4771

2006

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Experimental and Theoretical UV Characterizations of Acetylacetone and Its Isomers

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2006-03, Vol.110 (11), p.3920-3926

2006

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UV and IR Photoisomerization of Acetylacetone Trapped in a Nitrogen Matrix

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2007-04, Vol.111 (16), p.3074-3081

2007

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Divergent Chemo‑, Regio‑, and Diastereoselective Normal Electron-Demand Povarov-Type Reactions with α‑Oxo-ketene Dienophiles

Organic letters, 2014-08, Vol.16 (16), p.4126-4129

2014

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Interplay Between Theory and Experiment in Organic Photochromism: Example of Spirooxazine Ring Opening/Closing Equilibrium

Molecular crystals and liquid crystals (Philadelphia, Pa. : 2003), 2005-05, Vol.430 (1), p.221-226

2005

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One electron more, One electron less. What does it change? Activations Induced by electron Transfer. The electron, an activating messenger

Tetrahedron, 1990, Vol.46 (18), p.6193-6299

1990

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Study of γ-Alumina Surface Reactivity: Adsorption of Water and Hydrogen Sulfide on Octahedral Aluminum Sites

The journal of physical chemistry. B, 2002-09, Vol.106 (36), p.9359-9366

2002

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Étude Théorique par la Méthode AM1 de la Nitration des Amines

Journal de chimie physique et de physicochimie biologique, 1999-04, Vol.96 (4), p.647-664

1999

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Approach to a general classification of solvents using a multivariate statistical treatment of quantitative solvent parameters

Journal of the American Chemical Society, 1985-01, Vol.107 (1), p.1-11

1985

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Effect of nitro substituents on the photochromism of some spiro[indoline-naphthopyrans] under laser excitation

Journal of photochemistry and photobiology. A, Chemistry., 1993-12, Vol.76 (1), p.77-82

1993

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Study of γ-Alumina-Supported Hydrotreating Catalyst: I. Adsorption of Bare MoS2 Sheets on γ-Alumina Surfaces

The journal of physical chemistry. B, 2003-08, Vol.107 (33), p.8490-8497

2003

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The Formation of Silylated β-Lactams from Silylketenes through Lewis Acid Promoted [2+2] Cycloaddition: A Combined Theoretical and Experimental Study

European Journal of Organic Chemistry, 2005-06, Vol.2005 (12), p.2599-2606

2005

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Étude théorique d'un site carbone interstitiel dans un carbone prégraphitique

Carbon (New York), 1979, Vol.17 (4), p.335-337

1979

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A quantum chemical study of the ground state ring opening/closing of photochromic 1,3,3-trimethylspiro[indoline-2,3′-naphtho[2,1-b][1,4]oxazine]

Perkin 2 : an international journal of physical organic chemistry, 2002-06 (7), p.1307-1315

2002

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Formation of β-Lactones through Lewis Acid-Promoted [2 + 2] Cycloaddition Reaction. A Theoretical Study

Journal of the American Chemical Society, 1997-04, Vol.119 (14), p.3333-3338

1997

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Experimental evidence for a [2 + 2] mechanism in the Lewis acid-promoted formation of α,β-unsaturated esters from ethoxyacetylene and aldehydes. Synthesis and characterisation of 4-ethoxyoxetes

Chemical communications (Cambridge, England), 1998-08 (16), p.1619-1620

1998

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Research of valence character HCl- states through nearly diabatic CI calculations

The Journal of chemical physics, 1988-07, Vol.89 (1), p.433-440

1988

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Quantum study of the active sites of the γ-alumina surface: chemisorption and adsorption of water, hydrogen sulfide and carbon monoxide on aluminum and oxygen sites

Journal of molecular structure. Theochem, 2000-06, Vol.505 (1), p.81-94

2000

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Reaction mechanism studies made simple using simulated annealing. Potential energy surface exploration

Journal of molecular structure. Theochem, 2002-07, Vol.588 (1), p.71-78

2002

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Quantum study of the active sites of the γ alumina surface (II): QM/MM (LSCF) approach to water, hydrogen disulfide and carbon monoxide adsorption

Journal of molecular structure. Theochem, 2003-01, Vol.620 (2), p.119-128

2003

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The formation of silylketenes. A theoretical study

Tetrahedron, 1997-06, Vol.53 (24), p.8165-8172

1997

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Transition State Structural Variations in the Menshutkin Reaction. A Computational Study of Steric and Electronic Substituent Effects

Journal of organic chemistry, 1995-04, Vol.60 (7), p.1975-1980

1995

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Part I. Conformational analysis of thiazolidine-2-thione

Canadian journal of chemistry, 1980-03, Vol.58 (6), p.599-603

1980

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Étude mndo du mécanisme de l'activation d'alcane par transfert intermoléculaire d'hydrure

Journal de chimie physique et de physicochimie biologique, 1989, Vol.86, p.1041-1048

1989

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ChemInform Abstract: One Electron More, One Electron Less. What Does It Change? Activations Induced by Electron Transfer. The Electron, an Activating Messenger

ChemInform, 1990-12, Vol.21 (52), p.no-no

1990

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Quantum Chemical Study of the Photocoloration Reaction in the Napthoxazine Series

Experimental and Theoretical UV Characterizations of Acetylacetone and Its Isomers

UV and IR Photoisomerization of Acetylacetone Trapped in a Nitrogen Matrix

Divergent Chemo‑, Regio‑, and Diastereoselective Normal Electron-Demand Povarov-Type Reactions with α‑Oxo-ketene Dienophiles

Interplay Between Theory and Experiment in Organic Photochromism: Example of Spirooxazine Ring Opening/Closing Equilibrium

One electron more, One electron less. What does it change? Activations Induced by electron Transfer. The electron, an activating messenger

Study of γ-Alumina Surface Reactivity: Adsorption of Water and Hydrogen Sulfide on Octahedral Aluminum Sites

Étude Théorique par la Méthode AM1 de la Nitration des Amines

Approach to a general classification of solvents using a multivariate statistical treatment of quantitative solvent parameters

Effect of nitro substituents on the photochromism of some spiro[indoline-naphthopyrans] under laser excitation

Study of γ-Alumina-Supported Hydrotreating Catalyst: I. Adsorption of Bare MoS2 Sheets on γ-Alumina Surfaces

The Formation of Silylated β-Lactams from Silylketenes through Lewis Acid Promoted [2+2] Cycloaddition: A Combined Theoretical and Experimental Study

Étude théorique d'un site carbone interstitiel dans un carbone prégraphitique

A quantum chemical study of the ground state ring opening/closing of photochromic 1,3,3-trimethylspiro[indoline-2,3′-naphtho[2,1-b][1,4]oxazine]

Formation of β-Lactones through Lewis Acid-Promoted [2 + 2] Cycloaddition Reaction. A Theoretical Study

Experimental evidence for a [2 + 2] mechanism in the Lewis acid-promoted formation of α,β-unsaturated esters from ethoxyacetylene and aldehydes. Synthesis and characterisation of 4-ethoxyoxetes

Research of valence character HCl- states through nearly diabatic CI calculations

Quantum study of the active sites of the γ-alumina surface: chemisorption and adsorption of water, hydrogen sulfide and carbon monoxide on aluminum and oxygen sites

Reaction mechanism studies made simple using simulated annealing. Potential energy surface exploration

Quantum study of the active sites of the γ alumina surface (II): QM/MM (LSCF) approach to water, hydrogen disulfide and carbon monoxide adsorption

The formation of silylketenes. A theoretical study

Transition State Structural Variations in the Menshutkin Reaction. A Computational Study of Steric and Electronic Substituent Effects

Part I. Conformational analysis of thiazolidine-2-thione

Étude mndo du mécanisme de l'activation d'alcane par transfert intermoléculaire d'hydrure

ChemInform Abstract: One Electron More, One Electron Less. What Does It Change? Activations Induced by Electron Transfer. The Electron, an Activating Messenger

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