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Reactivity Models of Hydrogen Activation by Frustrated Lewis Pairs: Synergistic Electron Transfers or Polarization by Electric Field?

Journal of the American Chemical Society, 2013-03, Vol.135 (11), p.4425-4437

2013

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Rationalizing the Reactivity of Frustrated Lewis Pairs: Thermodynamics of H2 Activation and the Role of Acid−Base Properties

Journal of the American Chemical Society, 2009-08, Vol.131 (30), p.10701-10710

2009

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Expanding the Scope of Metal-Free Catalytic Hydrogenation through Frustrated Lewis Pair Design

Angewandte Chemie (International ed.), 2010-09, Vol.49 (37), p.6559-6563

2010

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On the Mechanism of B(C6F5)3-Catalyzed Direct Hydrogenation of Imines: Inherent and Thermally Induced Frustration

Journal of the American Chemical Society, 2009-02, Vol.131 (5), p.2029-2036

2009

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Mechanism of hydrogen activation by frustrated Lewis pairs: A molecular orbital approach

International journal of quantum chemistry, 2009, Vol.109 (11), p.2416-2425

2009

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Optimal Collision Energies and Bioinformatics Tools for Efficient Bottom-up Sequence Validation of Monoclonal Antibodies

Analytical chemistry (Washington), 2019-10, Vol.91 (20), p.13128-13135

2019

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Concerted attack of frustrated Lewis acid-base pairs on olefinic double bonds: a theoretical study

Chemical communications (Cambridge, England), 2008-01 (27), p.3148-3150

2008

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Selection of Collision Energies in Proteomics Mass Spectrometry Experiments for Best Peptide Identification: Study of Mascot Score Energy Dependence Reveals Double Optimum

Journal of proteome research, 2018-05, Vol.17 (5), p.1898-1906

2018

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Computing Reliable Energetics for Conjugate Addition Reactions

Organic letters, 2007-10, Vol.9 (21), p.4279-4282

2007

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Transformation of Zwitterionic Pyridine Derivatives to a Spiro-Fused Ring System: Azoniabenzo[de]fluorine. Synthesis and Mechanistic Rationalization

Journal of organic chemistry, 2015-01, Vol.80 (1), p.174-179

2015

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Turning Frustration into Bond Activation: A Theoretical Mechanistic Study on Heterolytic Hydrogen Splitting by Frustrated Lewis Pairs

Angewandte Chemie (International ed.), 2008-03, Vol.47 (13), p.2435-2438

2008

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Rearrangements of N-Heterocyclic Carbenes of Pyrazole to 4-Aminoquinolines and Benzoquinolines

European Journal of Organic Chemistry, 2010-08, Vol.2010 (22), p.4296-4305

2010

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Reactivity of the Binuclear Non-Heme Iron Active Site of Δ9 Desaturase Studied by Large-Scale Multireference Ab Initio Calculations

Journal of the American Chemical Society, 2014-11, Vol.136 (45), p.15977-15991

2014

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Rearrangement of Aryl- and Benzylthiopyridinium Imides with Participation of a Methyl Substituent

Journal of organic chemistry, 2011-11, Vol.76 (22), p.9362-9369

2011

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On the Mechanism of the Copper-Mediated C–S Bond Formation in the Intramolecular Disproportionation of Imine Disulfides

Inorganic chemistry, 2011-10, Vol.50 (20), p.9968-9979

2011

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Structural and Spectroscopic Properties of the Peroxodiferric Intermediate of Ricinus communis Soluble Δ9 Desaturase

Inorganic chemistry, 2012-03, Vol.51 (5), p.2806-2820

2012

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Structural and computational basis for potent inhibition of glutamate carboxypeptidase II by carbamate-based inhibitors

Bioorganic & medicinal chemistry, 2019-01, Vol.27 (2), p.255-264

2019

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Comparison of human glutamate carboxypeptidases II and III reveals their divergent substrate specificities

The FEBS journal, 2016-07, Vol.283 (13), p.2528-2545

2016

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A New Cyclization to Fused Pyrazoles Tunable for Pericyclic or Pseudopericyclic Route: An Experimental and Theoretical Study

Journal of organic chemistry, 2008-05, Vol.73 (10), p.3900-3906

2008

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Theoretical calculations of physico-chemical and spectroscopic properties of bioinorganic systems: current limits and perspectives

Dalton transactions : an international journal of inorganic chemistry, 2012-05, Vol.41 (19), p.5754-5768

2012

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In-Flight Epimerization of a Bis-Tröger Base

Angewandte Chemie (International ed.), 2011-03, Vol.50 (10), p.2401-2404

International ed. in English, 2011

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Coordination and Bond Activation in Complexes of Regioisomeric Phenylpyridines with the Nickel(II) Chloride Cation in the Gas Phase

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-02, Vol.117 (6), p.1171-1180

2013

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Rationalizing the Reactivity of Frustrated Lewis Pairs: Thermodynamics of H 2 Activation and the Role of Acid−Base Properties

Journal of the American Chemical Society, 2009-08, Vol.131 (30), p.10701-10710

2009

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Curvature correction for microiterative optimizations with QM/MM electronic embedding

Journal of computational chemistry, 2012-05, Vol.33 (12), p.1197-1206

2012

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Identification and interconversion of diastereomeric oligo-Tröger bases probed by ion mobility mass spectrometry

Physical chemistry chemical physics : PCCP, 2012-05, Vol.14 (19), p.6987-6995

2012

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Reactivity Models of Hydrogen Activation by Frustrated Lewis Pairs: Synergistic Electron Transfers or Polarization by Electric Field?

Rationalizing the Reactivity of Frustrated Lewis Pairs: Thermodynamics of H2 Activation and the Role of Acid−Base Properties

Expanding the Scope of Metal-Free Catalytic Hydrogenation through Frustrated Lewis Pair Design

On the Mechanism of B(C6F5)3-Catalyzed Direct Hydrogenation of Imines: Inherent and Thermally Induced Frustration

Mechanism of hydrogen activation by frustrated Lewis pairs: A molecular orbital approach

Optimal Collision Energies and Bioinformatics Tools for Efficient Bottom-up Sequence Validation of Monoclonal Antibodies

Concerted attack of frustrated Lewis acid-base pairs on olefinic double bonds: a theoretical study

Selection of Collision Energies in Proteomics Mass Spectrometry Experiments for Best Peptide Identification: Study of Mascot Score Energy Dependence Reveals Double Optimum

Computing Reliable Energetics for Conjugate Addition Reactions

Transformation of Zwitterionic Pyridine Derivatives to a Spiro-Fused Ring System: Azoniabenzo[de]fluorine. Synthesis and Mechanistic Rationalization

Turning Frustration into Bond Activation: A Theoretical Mechanistic Study on Heterolytic Hydrogen Splitting by Frustrated Lewis Pairs

Rearrangements of N-Heterocyclic Carbenes of Pyrazole to 4-Aminoquinolines and Benzoquinolines

Reactivity of the Binuclear Non-Heme Iron Active Site of Δ9 Desaturase Studied by Large-Scale Multireference Ab Initio Calculations

Rearrangement of Aryl- and Benzylthiopyridinium Imides with Participation of a Methyl Substituent

On the Mechanism of the Copper-Mediated C–S Bond Formation in the Intramolecular Disproportionation of Imine Disulfides

Structural and Spectroscopic Properties of the Peroxodiferric Intermediate of Ricinus communis Soluble Δ9 Desaturase

Structural and computational basis for potent inhibition of glutamate carboxypeptidase II by carbamate-based inhibitors

Comparison of human glutamate carboxypeptidases II and III reveals their divergent substrate specificities

A New Cyclization to Fused Pyrazoles Tunable for Pericyclic or Pseudopericyclic Route: An Experimental and Theoretical Study

Theoretical calculations of physico-chemical and spectroscopic properties of bioinorganic systems: current limits and perspectives

In-Flight Epimerization of a Bis-Tröger Base

Coordination and Bond Activation in Complexes of Regioisomeric Phenylpyridines with the Nickel(II) Chloride Cation in the Gas Phase

Rationalizing the Reactivity of Frustrated Lewis Pairs: Thermodynamics of H 2 Activation and the Role of Acid−Base Properties

Curvature correction for microiterative optimizations with QM/MM electronic embedding

Identification and interconversion of diastereomeric oligo-Tröger bases probed by ion mobility mass spectrometry

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