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Is the Acetate Anion Stabilized by Resonance or Electrostatics? A Systematic Structural Comparison

Journal of the American Chemical Society, 2000-01, Vol.122 (2), p.357-368

Rablen, Paul R

2000

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Group Contribution Revisited: The Enthalpy of Formation of Organic Compounds with “Chemical Accuracy” Part IV

Thermo, 2023-06, Vol.3 (2), p.289-308

2023

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N‑Methylimidazole Promotes the Reaction of Homophthalic Anhydride with Imines

Journal of organic chemistry, 2014-08, Vol.79 (16), p.7593-7599

2014

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Amide Neighbouring‐Group Effects in Peptides: Phenylalanine as Relay Amino Acid in Long‐Distance Electron Transfer

Chembiochem : a European journal of chemical biology, 2018-05, Vol.19 (9), p.922-926

2018

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Synthesis and Characterization of a Tripodal Tris(nitroxide) Aluminum Complex and Its Catalytic Activity toward Carbonyl Hydroboration

Organometallics, 2019-03, Vol.38 (5), p.1017-1020

2019

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Concomitant Polymorphism in an Organic Solid: Molecular and Crystal Structure and Intra‐ and Intermolecular Potential Contributions to tert‐Butyl and Methyl Group Rotation

Chemphyschem, 2019-11, Vol.20 (21), p.2887-2894

2019

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Evaluation of 1,1-cyclopropylidene as a thioether isostere in the 4-thio-thienopyrimidine (TTP) series of antimalarials

Bioorganic & medicinal chemistry, 2020-11, Vol.28 (22), p.115758-115758, Article 115758

2020

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Large Effect on Borane Bond Dissociation Energies Resulting from Coordination by Lewis Bases

Journal of the American Chemical Society, 1997-09, Vol.119 (35), p.8350-8360

Rablen, Paul R

1997

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Amides. 3. Experimental and Theoretical Studies of the Effect of the Medium on the Rotational Barriers for N,N-Dimethylformamide and N,N-Dimethylacetamide

Journal of the American Chemical Society, 1995-04, Vol.117 (15), p.4261-4270

1995

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A complex stereochemical relay approach to the antimalarial alkaloid ocimicide A1. Evidence for a structural revision

Chemical science (Cambridge), 2017-06, Vol.8 (7), p.4867-4871

2017

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Accurate Borane Sequential Bond Dissociation Energies by High-Level ab Initio Computational Methods

Journal of the American Chemical Society, 1996-05, Vol.118 (19), p.4648-4653

1996

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A complex stereochemical relay approach to the antimalarial alkaloid ocimicide A 1 . Evidence for a structural revision

Chemical science (Cambridge), 2017-07, Vol.8 (7), p.4867-4871

2017

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Computational assessment of thioether isosteres

Journal of molecular graphics & modelling, 2018-03, Vol.80, p.282-292

2018

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Experimental and Theoretical Study of the 2-Alkoxyethylidene Rearrangement

Journal of organic chemistry, 2011-03, Vol.76 (6), p.1584-1591

2011

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Ab Initio Study of Hydrogen-Bonded Complexes of Small Organic Molecules with Water

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 1998-05, Vol.102 (21), p.3782-3797

1998

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Acid-catalyzed conversion of caryolan-1-ol to isoclovene: A computational investigation of the multi-step carbocation rearrangement

Tetrahedron, 2018-07, Vol.74 (28), p.3781-3786

Rablen, Paul R.

2018

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Journal of physical organic chemistry, 2023-03, Vol.36 (3), p.n/a

2023

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Journal of physical organic chemistry, 2023-03, Vol.36 (3)

2023

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On the Origin of Conformational Kinetic Isotope Effects

Angewandte Chemie (International ed.), 2011-03, Vol.50 (11), p.2564-2567

International ed. in English, 2011

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A Comparison of Density Functional Methods for the Estimation of Proton Chemical Shifts with Chemical Accuracy

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 1999-09, Vol.103 (36), p.7357-7363

1999

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A Procedure for Computing Hydrocarbon Strain Energies Using Computational Group Equivalents, with Application to 66 Molecules

Chemistry an international journal, 2020-06, Vol.2 (2), p.347-360

Rablen, Paul R.

2020

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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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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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OGA inhibition by GlcNAc-selenazoline

Bioorganic & medicinal chemistry, 2010-10, Vol.18 (19), p.7058-7064

2010

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GlcNAc-Thiazoline conformations

Bioorganic & medicinal chemistry, 2009-03, Vol.17 (5), p.1831-1836

2009

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Is the Acetate Anion Stabilized by Resonance or Electrostatics? A Systematic Structural Comparison

Group Contribution Revisited: The Enthalpy of Formation of Organic Compounds with “Chemical Accuracy” Part IV

N‑Methylimidazole Promotes the Reaction of Homophthalic Anhydride with Imines

Amide Neighbouring‐Group Effects in Peptides: Phenylalanine as Relay Amino Acid in Long‐Distance Electron Transfer

Synthesis and Characterization of a Tripodal Tris(nitroxide) Aluminum Complex and Its Catalytic Activity toward Carbonyl Hydroboration

Concomitant Polymorphism in an Organic Solid: Molecular and Crystal Structure and Intra‐ and Intermolecular Potential Contributions to tert‐Butyl and Methyl Group Rotation

Evaluation of 1,1-cyclopropylidene as a thioether isostere in the 4-thio-thienopyrimidine (TTP) series of antimalarials

Large Effect on Borane Bond Dissociation Energies Resulting from Coordination by Lewis Bases

Amides. 3. Experimental and Theoretical Studies of the Effect of the Medium on the Rotational Barriers for N,N-Dimethylformamide and N,N-Dimethylacetamide

A complex stereochemical relay approach to the antimalarial alkaloid ocimicide A1. Evidence for a structural revision

Accurate Borane Sequential Bond Dissociation Energies by High-Level ab Initio Computational Methods

A complex stereochemical relay approach to the antimalarial alkaloid ocimicide A 1 . Evidence for a structural revision

Computational assessment of thioether isosteres

Experimental and Theoretical Study of the 2-Alkoxyethylidene Rearrangement

Ab Initio Study of Hydrogen-Bonded Complexes of Small Organic Molecules with Water

Acid-catalyzed conversion of caryolan-1-ol to isoclovene: A computational investigation of the multi-step carbocation rearrangement

Cover Image

Cover Image

On the Origin of Conformational Kinetic Isotope Effects

A Comparison of Density Functional Methods for the Estimation of Proton Chemical Shifts with Chemical Accuracy

A Procedure for Computing Hydrocarbon Strain Energies Using Computational Group Equivalents, with Application to 66 Molecules

Origin of the stability of carbon tetrafluoride: negative hyperconjugation reexamined

Comparison of atomic charges derived via different procedures

OGA inhibition by GlcNAc-selenazoline

GlcNAc-Thiazoline conformations

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