Theoretical study of intermolecular interactions in crystalline arene–perhaloarene adducts in terms of the electron density

Can Stacking Interactions Exist Beyond the Commonly Accepted Limits?

(2016) Rafal Kruszynski et al.   CRYSTAL GROWTH & DESIGN

How Reliable Are Intermolecular Interaction Energies Estimated from Topological Analysis of Experimental Electron Densities?

(2015) Mark A. Spackman   CRYSTAL GROWTH & DESIGN

Phosphorescent π-Hole···π Bonding Cocrystals of Pyrene with Halo-perfluorobenzenes (F, Cl, Br, I)

(2015) Xue Pang et al.   CRYSTAL GROWTH & DESIGN

Well-Organized Columnar Superlattices via Positive Coupling between Polymer Backbone and Discotic Side Groups

(2015) Bin Mu et al.   MACROMOLECULES

Directionality of intermolecular C–F···F–C interactions in crystals: experimental and theoretical charge density study

(2015) V. A. Karnoukhova et al.   STRUCTURAL CHEMISTRY

Quantitative analysis of intermolecular interactions in orthorhombic rubrene

(2015) Venkatesha R. Hathwar et al.   IUCrJ

Intermolecular atom–atom bonds in crystals?

(2015) Jack D. Dunitz   IUCrJ

Intermolecular atom–atom bonds in crystals – a chemical perspective

(2015) Tejender S. Thakur et al.   IUCrJ

On atom–atom `short contact' bonding interactions in crystals

(2015) Claude Lecomte et al.   IUCrJ

CRYSTAL14: A program for theab initioinvestigation of crystalline solids

(2014) Roberto Dovesi et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Competition between weak hydrogen bonds: C–H⋯Cl is preferred to C–H⋯F in CH2ClF–H2CO, as revealed by rotational spectroscopy

(2014) Gang Feng et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Interplay between non-covalent interactions in complexes and crystals with halogen bonds

(2014) E V Bartashevich et al.   RUSSIAN CHEMICAL REVIEWS

DevelopingWinXPRO: a software for determination of the multipole-model-based properties of crystals

(2014) Adam I. Stash et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Aromatic Interactions

(2013) Marcey L. Waters   ACCOUNTS OF CHEMICAL RESEARCH

Differences in the Sublimation Energy of Benzene and Hexahalogenbenzenes Are Caused by Dispersion Energy

(2013) Jakub Trnka et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Cl···Cl Interactions in Molecular Crystals: Insights from the Theoretical Charge Density Analysis

(2013) Mikhail V. Vener et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Organic super-electron-donors: initiators in transition metal-free haloarene–arene coupling

(2013) Shengze Zhou et al.   Chemical Science

Dispersion-Corrected Density Functional Theory for Aromatic Interactions in Complex Systems

(2012) Stephan Ehrlich et al.   ACCOUNTS OF CHEMICAL RESEARCH

Exploring and Exploiting Polar−π Interactions with Fluorinated Aromatic Amino Acids

(2012) Christopher J. Pace et al.   ACCOUNTS OF CHEMICAL RESEARCH

Revealing Non-covalent Interactions in Molecular Crystals through Their Experimental Electron Densities

(2012) Gabriele Saleh  et al.   CHEMISTRY-A EUROPEAN JOURNAL

Charge Density Analysis and Topological Properties of Hal3-Synthons and Their Comparison with Competing Hydrogen Bonds

(2012) Mariya E. Brezgunova et al.   CRYSTAL GROWTH & DESIGN

R-free factor and experimental charge-density analysis of 1-(2′-aminophenyl)-2-methyl-4-nitroimidazole: a crystal structure withZ′ = 2

(2011) Agnieszka Paul et al.   ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE

Aromatic Rings in Chemical and Biological Recognition: Energetics and Structures

(2011) Laura M. Salonen et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Meaningful Structural Descriptors from Charge Density

(2011) Dietmar Stalke    CHEMISTRY-A EUROPEAN JOURNAL

NCIPLOT: A Program for Plotting Noncovalent Interaction Regions

(2011) Julia Contreras-García et al.   Journal of Chemical Theory and Computation

Effect of the damping function in dispersion corrected density functional theory

(2011) Stefan Grimme et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Periodic Projector Augmented Wave Density Functional Calculations on the Hexachlorobenzene Crystal and Comparison with the Experimental Multipolar Charge Density Model

(2011) Emmanuel Aubert et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Efficient computer modeling of organic materials. The atom–atom, Coulomb–London–Pauli (AA-CLP) model for intermolecular electrostatic-polarization, dispersion and repulsion energies

(2011) Angelo Gavezzotti   NEW JOURNAL OF CHEMISTRY

Electronic structure and chemical bond in naphthalene and anthracene

(2011) Igor A. Fedorov et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Nature of Cl···Cl Intermolecular Interactions via Experimental and Theoretical Charge Density Analysis: Correlation of Polar Flattening Effects with Geometry

(2010) Venkatesha R. Hathwar et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Revealing Noncovalent Interactions

(2010) Erin R. Johnson et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Electronic structure of solids with WIEN2k

(2010) Karlheinz Schwarz et al.   MOLECULAR PHYSICS

The Nature of Halogen⋅⋅⋅Halogen Interactions: A Model Derived from Experimental Charge-Density Analysis

(2009) Thai Thanh Thu Bui et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Fluorine Bonding — How Does It Work In Protein−Ligand Interactions?

(2009) Peng Zhou et al.   Journal of Chemical Information and Modeling

Controlling the self assembly of arene functionalised 2-aminopyrimidines by arene-perfluoroarene interaction and by silver(I) complex formation

(2008) Ion Stoll et al.   CRYSTENGCOMM

Non-conventional bonding between organic molecules. The 'halogen bond' in crystalline systems

(2008) A. Gavezzotti   MOLECULAR PHYSICS