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On the Importance and Origin of Aromatic Interactions in Chemistry and Biodisciplines

Accounts of chemical research, 2013-04, Vol.46 (4), p.927-936

2013

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Ligands of Therapeutic Utility for the Liver X Receptors

Molecules (Basel, Switzerland), 2017-01, Vol.22 (1), p.88

2017

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S66: A Well-balanced Database of Benchmark Interaction Energies Relevant to Biomolecular Structures

Journal of chemical theory and computation, 2011-08, Vol.7 (8), p.2427-2438

2011

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The relative roles of electrostatics and dispersion in the stabilization of halogen bonds

Physical chemistry chemical physics : PCCP, 2013-11, Vol.15 (41), p.17742-17751

2013

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Benchmark Calculations of Noncovalent Interactions of Halogenated Molecules

Journal of chemical theory and computation, 2012-11, Vol.8 (11), p.4285-4292

2012

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Investigations into the Nature of Halogen Bonding Including Symmetry Adapted Perturbation Theory Analyses

Journal of chemical theory and computation, 2008-02, Vol.4 (2), p.232-242

2008

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Noncovalent interactions in biochemistry

Wiley interdisciplinary reviews. Computational molecular science, 2011-01, Vol.1 (1), p.3-17

2011

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Experiences with an Inquiry-Based Ionic Liquid Module in an Undergraduate Physical Chemistry Laboratory

Journal of chemical education, 2024-05, Vol.101 (5), p.2022-2029

2024

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Extensions of the S66 Data Set: More Accurate Interaction Energies and Angular-Displaced Nonequilibrium Geometries

Journal of chemical theory and computation, 2011-11, Vol.7 (11), p.3466-3470

2011

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σ-Holes, π-holes and electrostatically-driven interactions

Journal of molecular modeling, 2012-02, Vol.18 (2), p.541-548

2012

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

Chemical reviews, 2010-09, Vol.110 (9), p.5023-5063

2010

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Nature and magnitude of aromatic stacking of nucleic acid bases

Physical chemistry chemical physics : PCCP, 2008-01, Vol.10 (19), p.2595-2610

2008

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Strength and Character of Halogen Bonds in Protein–Ligand Complexes

Crystal growth & design, 2011-10, Vol.11 (10), p.4272-4278

2011

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Assessment of the MP2 Method, along with Several Basis Sets, for the Computation of Interaction Energies of Biologically Relevant Hydrogen Bonded and Dispersion Bound Complexes

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2007-08, Vol.111 (33), p.8257-8263

2007

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Assessment of the Performance of MP2 and MP2 Variants for the Treatment of Noncovalent Interactions

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2012-04, Vol.116 (16), p.4159-4169

2012

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Halogen bond tunability II: the varying roles of electrostatic and dispersion contributions to attraction in halogen bonds

Journal of molecular modeling, 2013-11, Vol.19 (11), p.4651-4659

2013

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Halogen bond tunability I: the effects of aromatic fluorine substitution on the strengths of halogen-bonding interactions involving chlorine, bromine, and iodine

Journal of molecular modeling, 2011-12, Vol.17 (12), p.3309-3318

2011

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Another role of proline : stabilization interactions in proteins and protein complexes concerning proline and tryptophane

Physical chemistry chemical physics : PCCP, 2008-01, Vol.10 (42), p.6350-6359

2008

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On the Structure and Geometry of Biomolecular Binding Motifs (Hydrogen-Bonding, Stacking, X−H···π): WFT and DFT Calculations

Journal of chemical theory and computation, 2010-01, Vol.6 (1), p.66-80

2010

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Br···O Complexes as Probes of Factors Affecting Halogen Bonding: Interactions of Bromobenzenes and Bromopyrimidines with Acetone

Journal of chemical theory and computation, 2009-01, Vol.5 (1), p.155-163

2009

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Critical Assessment of the Performance of Density Functional Methods for Several Atomic and Molecular Properties

Journal of chemical theory and computation, 2007-03, Vol.3 (2), p.407-433

2007

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Strength, character, and directionality of halogen bonds involving cationic halogen bond donors

Faraday discussions, 2017-10, Vol.23, p.47-6

2017

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The quantum pencil revisited

European journal of physics, 2021-11, Vol.42 (6), p.65406

2021

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Insights into the Strength and Origin of Halogen Bonding: The Halobenzene−Formaldehyde Dimer

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2007-03, Vol.111 (9), p.1688-1694

2007

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MP2.5 and MP2.X: Approaching CCSD(T) Quality Description of Noncovalent Interaction at the Cost of a Single CCSD Iteration

Chemphyschem, 2013-03, Vol.14 (4), p.698-707

2013

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On the Importance and Origin of Aromatic Interactions in Chemistry and Biodisciplines

Ligands of Therapeutic Utility for the Liver X Receptors

S66: A Well-balanced Database of Benchmark Interaction Energies Relevant to Biomolecular Structures

The relative roles of electrostatics and dispersion in the stabilization of halogen bonds

Benchmark Calculations of Noncovalent Interactions of Halogenated Molecules

Investigations into the Nature of Halogen Bonding Including Symmetry Adapted Perturbation Theory Analyses

Noncovalent interactions in biochemistry

Experiences with an Inquiry-Based Ionic Liquid Module in an Undergraduate Physical Chemistry Laboratory

Extensions of the S66 Data Set: More Accurate Interaction Energies and Angular-Displaced Nonequilibrium Geometries

σ-Holes, π-holes and electrostatically-driven interactions

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

Nature and magnitude of aromatic stacking of nucleic acid bases

Strength and Character of Halogen Bonds in Protein–Ligand Complexes

Assessment of the MP2 Method, along with Several Basis Sets, for the Computation of Interaction Energies of Biologically Relevant Hydrogen Bonded and Dispersion Bound Complexes

Assessment of the Performance of MP2 and MP2 Variants for the Treatment of Noncovalent Interactions

Halogen bond tunability II: the varying roles of electrostatic and dispersion contributions to attraction in halogen bonds

Halogen bond tunability I: the effects of aromatic fluorine substitution on the strengths of halogen-bonding interactions involving chlorine, bromine, and iodine

Another role of proline : stabilization interactions in proteins and protein complexes concerning proline and tryptophane

On the Structure and Geometry of Biomolecular Binding Motifs (Hydrogen-Bonding, Stacking, X−H···π): WFT and DFT Calculations

Br···O Complexes as Probes of Factors Affecting Halogen Bonding: Interactions of Bromobenzenes and Bromopyrimidines with Acetone

Critical Assessment of the Performance of Density Functional Methods for Several Atomic and Molecular Properties

Strength, character, and directionality of halogen bonds involving cationic halogen bond donors

The quantum pencil revisited

Insights into the Strength and Origin of Halogen Bonding: The Halobenzene−Formaldehyde Dimer

MP2.5 and MP2.X: Approaching CCSD(T) Quality Description of Noncovalent Interaction at the Cost of a Single CCSD Iteration

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