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Solvent Effects on the Thioamide Rotational Barrier: An Experimental and Theoretical Study

Journal of the American Chemical Society, 2001-03, Vol.123 (9), p.2038-2046

2001

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Configurational and Conformational Analysis of Chiral Molecules Using IR and VCD Spectroscopies: Spiropentylcarboxylic Acid Methyl Ester and Spiropentyl Acetate

Journal of organic chemistry, 2002-11, Vol.67 (23), p.8090-8096

2002

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Chiral Diamines 4: A Computational Study of the Enantioselective Deprotonation of Boc-pyrrolidine with an Alkyllithium in the Presence of a Chiral Diamine

Journal of the American Chemical Society, 2001-08, Vol.123 (34), p.8231-8238

2001

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Antiaromaticity in Monocyclic Conjugated Carbon Rings

Chemical reviews, 2001-05, Vol.101 (5), p.1317-1332

Wiberg, Kenneth B

2001

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Solvent Effects on Methyl Transfer Reactions. 2. The Reaction of Amines with Trimethylsulfonium Salts

Journal of the American Chemical Society, 2001-06, Vol.123 (25), p.6092-6097

2001

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Comparison of atomic charges derived via different procedures

Journal of computational chemistry, 1993-12, Vol.14 (12), p.1504-1518

1993

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Determining atom-centered monopoles from molecular electrostatic potentials. The need for high sampling density in formamide conformational analysis

Journal of computational chemistry, 1990-04, Vol.11 (3), p.361-373

1990

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Properties of atoms in molecules: dipole moments and transferability of properties

The Journal of chemical physics, 1987-07, Vol.87 (2), p.1142-1152

1987

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Origin of rotation and inversion barriers

Journal of the American Chemical Society, 1990-08, Vol.112 (18), p.6530-6536

1990

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Hartree-Fock second derivatives and electric field properties in a solvent reaction field : theory and application

The Journal of chemical physics, 1991-12, Vol.95 (12), p.8991-8998

1991

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V1, Rotate: [1.1.1]Propellane Prepared to Takeoff

Synfacts, 2020-06, Vol.16 (6), p.747

2020

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Basis set effects on calculated geometries: 6-311++G vs. aug-cc-pVDZ

Journal of computational chemistry, 2004-08, Vol.25 (11), p.1342-1346

Wiberg, Kenneth B.

2004

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Origin of the stability of carbon tetrafluoride: negative hyperconjugation reexamined

Journal of the American Chemical Society, 1993-01, Vol.115 (2), p.614-625

1993

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Solvation and Structural Effects on the Stability of 10-X-2 Ate-Complexes: A Computational Study

Journal of organic chemistry, 2000-04, Vol.65 (7), p.2014-2021

2000

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Synthesis and Chemistry of Bicyclo[4.1.0]hept-1,6-ene

Journal of organic chemistry, 1996-01, Vol.61 (2), p.764-770

1996

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Reactions of [1.1.1]propellane

Journal of the American Chemical Society, 1990-03, Vol.112 (6), p.2194-2216

1990

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Deoxygenation of Alcohols Employing Water as the Hydrogen Atom Source

Journal of the American Chemical Society, 2005-09, Vol.127 (36), p.12513-12515

2005

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The C7−C10 Cycloalkanes Revisited

Journal of organic chemistry, 2003-11, Vol.68 (24), p.9322-9329

Wiberg, Kenneth B

2003

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Ab Initio Study of the Stability of the Ylide-like Intermediate Methyleneoxonium in the Reaction between Singlet Methylene and Water

Journal of the American Chemical Society, 1996-06, Vol.118 (23), p.5408-5411

1996

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Chiral diamines. 1. Relative energies of (−)-sparteine conformers, interconversion barriers, and alkyllithium complexes

Journal of molecular structure, 2000-12, Vol.556 (1-3), p.239-244

2000

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The Energy Components of the Anomeric Effect for 2-Methoxytetrahydropyran. An Experimental Comparison of the Gas Phase and Solutions

Journal of the American Chemical Society, 1994-03, Vol.116 (5), p.2197-2198

1994

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Correlation Effects in EOM-CCSD for the Excited States: Evaluated by AIM Localization Index (LI) and Delocalization Index (DI)

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2007-05, Vol.111 (18), p.3592-3601

2007

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Substituent Effects on the Acidity of Weak Acids. 2. Calculated Gas-Phase Acidities of Substituted Benzoic Acids

Journal of organic chemistry, 2002-07, Vol.67 (14), p.4787-4794

Wiberg, Kenneth B

2002

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Stereoselectivity of cyclization of substituted 5-hexen-1-yllithiums : regiospecific and highly stereoselective insertion of an unactivated alkene into a C-Li bond

Journal of the American Chemical Society, 1991-07, Vol.113 (15), p.5720-5727

1991

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Enthalpies of hydrogenation of heteroatom-substituted alkenes

Journal of the American Chemical Society, 1993-11, Vol.115 (23), p.10658-10664

1993

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Solvent Effects on the Thioamide Rotational Barrier: An Experimental and Theoretical Study

Configurational and Conformational Analysis of Chiral Molecules Using IR and VCD Spectroscopies: Spiropentylcarboxylic Acid Methyl Ester and Spiropentyl Acetate

Chiral Diamines 4: A Computational Study of the Enantioselective Deprotonation of Boc-pyrrolidine with an Alkyllithium in the Presence of a Chiral Diamine

Antiaromaticity in Monocyclic Conjugated Carbon Rings

Solvent Effects on Methyl Transfer Reactions. 2. The Reaction of Amines with Trimethylsulfonium Salts

Comparison of atomic charges derived via different procedures

Determining atom-centered monopoles from molecular electrostatic potentials. The need for high sampling density in formamide conformational analysis

Properties of atoms in molecules: dipole moments and transferability of properties

Origin of rotation and inversion barriers

Hartree-Fock second derivatives and electric field properties in a solvent reaction field : theory and application

V1, Rotate: [1.1.1]Propellane Prepared to Takeoff

Basis set effects on calculated geometries: 6-311++G vs. aug-cc-pVDZ

Origin of the stability of carbon tetrafluoride: negative hyperconjugation reexamined

Solvation and Structural Effects on the Stability of 10-X-2 Ate-Complexes: A Computational Study

Synthesis and Chemistry of Bicyclo[4.1.0]hept-1,6-ene

Reactions of [1.1.1]propellane

Deoxygenation of Alcohols Employing Water as the Hydrogen Atom Source

The C7−C10 Cycloalkanes Revisited

Ab Initio Study of the Stability of the Ylide-like Intermediate Methyleneoxonium in the Reaction between Singlet Methylene and Water

Chiral diamines. 1. Relative energies of (−)-sparteine conformers, interconversion barriers, and alkyllithium complexes

The Energy Components of the Anomeric Effect for 2-Methoxytetrahydropyran. An Experimental Comparison of the Gas Phase and Solutions

Correlation Effects in EOM-CCSD for the Excited States: Evaluated by AIM Localization Index (LI) and Delocalization Index (DI)

Substituent Effects on the Acidity of Weak Acids. 2. Calculated Gas-Phase Acidities of Substituted Benzoic Acids

Stereoselectivity of cyclization of substituted 5-hexen-1-yllithiums : regiospecific and highly stereoselective insertion of an unactivated alkene into a C-Li bond

Enthalpies of hydrogenation of heteroatom-substituted alkenes

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