Ab initio dynamics trajectory study of the heterolytic cleavage of H2 by a Lewis acid [B(C6F5)3] and a Lewis base [P(tBu)3]

Theoretical analysis of cooperative effects of small molecule activation by frustrated Lewis pairs

(2012) Christian Mück-Lichtenfeld et al.   DALTON TRANSACTIONS

Association of frustrated phosphine–borane pairs in toluene: molecular dynamics simulations

(2012) Imre Bakó et al.   DALTON TRANSACTIONS

Heterolytic dihydrogen activation by B(C6F5)3 and carbonyl compounds

(2012) Markus Lindqvist et al.   DALTON TRANSACTIONS

Capture of NO by a Frustrated Lewis Pair: A New Type of Persistent N-Oxyl Radical

(2011) Allan Jay P. Cardenas et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Computational Studies of Lewis Acidities of Tris(fluorophenyl)-Substituted Boranes: An Additive Relationship between Lewis Acidity and Fluorine Position

(2011) Bridget L. Durfey et al.   INORGANIC CHEMISTRY

Metal-Free Catalytic Hydrogenation of Polar Substrates by Frustrated Lewis Pairs

(2011) Douglas W. Stephan et al.   INORGANIC CHEMISTRY

Competition between Reaction and Intramolecular Energy Redistribution in Solution: Observation and Nature of Nonstatistical Dynamics in the Ozonolysis of Vinyl Ethers

(2011) Larisa Mae M. Quijano et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Dihydrogen Activation withtBu3P/B(C6F5)3: A Chemically Competent Indirect Mechanism via in Situ-Generatedp-tBu2P–C6F4–B(C6F5)2

(2011) Adam J. V. Marwitz et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Quantum dynamics simulations of energy redistribution in HO–SO2

(2010) Stewart K. Reed et al.   CHEMICAL PHYSICS

Stabilization and Structure Calculations for Noncovalent Interactions in Extended Molecular Systems Based on Wave Function and Density Functional Theories

(2010) Kevin E. Riley et al.   CHEMICAL REVIEWS

Alkene Hydroboration: Hot Intermediates That React While They Are Cooling

(2010) David R. Glowacki et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Main-group elements as transition metals

(2010) Philip P. Power   NATURE

Dispersion-Oriented Soft Interaction in a Frustrated Lewis Pair and the Entropic Encouragement Effect in its Formation

(2009) Hyun Woo Kim et al.   CHEMISTRY-A EUROPEAN JOURNAL

Frustrated Lewis pairs: a new strategy to small molecule activation and hydrogenation catalysis

(2009) Douglas W. Stephan   DALTON TRANSACTIONS

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

(2009) Andrea Hamza et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Significance of Nonstatistical Dynamics in Organic Reaction Mechanisms: Time-Dependent Stereoselectivity in Cyclopentyne−Alkene Cycloadditions

(2009) David R. Glowacki et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

(2009) Tibor András Rokob et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Rationalizing the Reactivity of Frustrated Lewis Pairs: Thermodynamics of H2Activation and the Role of Acid−Base Properties

(2009) Tibor András Rokob et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Cover Picture: Facile Heterolytic H2Activation by Amines and B(C6F5)3(Angew. Chem. Int. Ed. 32/2008)

(2008) Victor Sumerin et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Unusual Concerted Lewis Acid−Lewis Base Mechanism for Hydrogen Activation by a Phosphine−Borane Compound

(2008) Yong Guo et al.   INORGANIC CHEMISTRY

Quantum Chemistry on Graphical Processing Units. 1. Strategies for Two-Electron Integral Evaluation

(2008) Ivan S. Ufimtsev et al.   Journal of Chemical Theory and Computation