Related references
Note: Only part of the references are listed.Halogen Bonding: An Interim Discussion
Peter Politzer et al.
CHEMPHYSCHEM (2013)
Enthalpy and entropy factors in gas phase halogen bonding: compensation and competition
Peter Politzer et al.
CRYSTENGCOMM (2013)
Trends in σ-hole strengths and interactions of F3MX molecules (M = C, Si, Ge and X = F, Cl, Br, I)
Ashwini Bundhun et al.
JOURNAL OF MOLECULAR MODELING (2013)
Halogen bond tunability II: the varying roles of electrostatic and dispersion contributions to attraction in halogen bonds
Kevin E. Riley et al.
JOURNAL OF MOLECULAR MODELING (2013)
σ-Holes
Timothy Clark
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2013)
Entropy-enthalpy compensation as a fundamental concept and analysis tool for systematical experimental data
E. B. Starikov et al.
CHEMICAL PHYSICS LETTERS (2012)
Halogen Bonding: Where We Are and Where We Are Going
Pierangelo Metrangolo et al.
CRYSTAL GROWTH & DESIGN (2012)
Hydrogen bond and s-hole interaction in M2C=S•••HCN (M = H, F, Cl, Br, HO, H3C, H2N) complex: Dual roles of C=S group and substitution effect
Bo Jing et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2012)
Scalable Anisotroplic Shape and Electrostatic Models for Biological Bromine Halogen Bonds
Megan Carter et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2012)
On Extension of the Current Biomolecular Empirical Force Field for the Description of Halogen Bonds
Michal Kolar et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2012)
Treatment of Halogen Bonding in the OPLS-AA Force Field: Application to Potent Anti-HIV Agents
William L. Jorgensen et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2012)
Polarization-induced σ-holes and hydrogen bonding
Matthias Hennemann et al.
JOURNAL OF MOLECULAR MODELING (2012)
σ-Holes, π-holes and electrostatically-driven interactions
Jane S. Murray et al.
JOURNAL OF MOLECULAR MODELING (2012)
Halogen bonding and beyond: factors influencing the nature of CN-R and SiN-R complexes with F-Cl and Cl2
Peter Politzer et al.
THEORETICAL CHEMISTRY ACCOUNTS (2012)
Competition of chalcogen bond, halogen bond, and hydrogen bond in SCS-HOX and SeCSe-HOX (X = Cl and Br) complexes
Qing-Zhong Li et al.
COMPUTATIONAL AND THEORETICAL CHEMISTRY (2012)
Perspectives on halogen bonding and other σ-hole interactions: Lex parsimoniae (Occam's Razor)
Peter Politzer et al.
COMPUTATIONAL AND THEORETICAL CHEMISTRY (2012)
Do nitrogen bases form chlorine-shared and ion-pair halogen bonds?
Janet E. Del Bene et al.
CHEMICAL PHYSICS LETTERS (2011)
Pnicogen Bonds: A New Molecular Linker?
Stefan Zahn et al.
CHEMISTRY-A EUROPEAN JOURNAL (2011)
Fluorine-Centered Halogen Bonding: A Factor in Recognition Phenomena and Reactivity
Pierangelo Metrangolo et al.
CRYSTAL GROWTH & DESIGN (2011)
Role of organic fluorine in crystal engineering
Deepak Chopra et al.
CRYSTENGCOMM (2011)
Density Functional Study of AgnPd and AgnPdH Clusters
Shuang Zhao et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2011)
On the properties of X•••N noncovalent interactions for first-, second-, and third-row X atoms
Steve Scheiner
JOURNAL OF CHEMICAL PHYSICS (2011)
Molecular Mechanical Study of Halogen Bonding in Drug Discovery
Mahmoud A. A. Ibrahim
JOURNAL OF COMPUTATIONAL CHEMISTRY (2011)
Halogen bond tunability I: the effects of aromatic fluorine substitution on the strengths of halogen-bonding interactions involving chlorine, bromine, and iodine
Kevin E. Riley et al.
JOURNAL OF MOLECULAR MODELING (2011)
How Does Halogen Bonding Behave in Solution? A Theoretical Study Using Implicit Solvation Model
Yunxiang Lu et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2011)
Semiempirical Quantum Mechanical Method PM6-DH2X Describes the Geometry and Energetics of CK2-Inhibitor Complexes Involving Halogen Bonds Well, While the Empirical Potential Fails
Petr Dobes et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2011)
Theoretical and crystallographic data investigations of noncovalent S•••O interactions
Lu Junming et al.
STRUCTURAL CHEMISTRY (2011)
The electrostatic potential: an overview
Jane S. Murray et al.
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2011)
Directional Weak Intermolecular Interactions: sigma-Hole Bonding
Jane S. Murray et al.
AUSTRALIAN JOURNAL OF CHEMISTRY (2010)
Directional Tendencies of Halogen and Hydrogen Bonds
Zenaida P. Shields et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2010)
Average local ionization energy: A review
Peter Politzer et al.
JOURNAL OF MOLECULAR MODELING (2010)
Quantitative analysis of molecular surfaces: areas, volumes, electrostatic potentials and average local ionization energies
Felipe A. Bulat et al.
JOURNAL OF MOLECULAR MODELING (2010)
On the nature of halogen bond - The Kohn-Sham molecular orbital approach
Marcin Palusiak
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM (2010)
Cooperative and Diminutive Unusual Weak Bonding In F3CX•••HMgH•••Y and F3CX•••Y•••HMgH Trimers (X = Cl, Br; Y = HCN, and HNC)
Mohammad Solimannejad et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2010)
Do Traditional, Chlorine-shared, and Ion-pair Halogen Bonds Exist? An ab Initio Investigation of FCl:CNX Complexes
Janet E. Del Bene et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2010)
The halogen bond: an interim perspective
Anthony C. Legon
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2010)
Halogen bonding: an electrostatically-driven highly directional noncovalent interaction
Peter Politzer et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2010)
Intramolecular S•••O chalcogen bond in thioindirubin
Oleg V. Shishkin et al.
STRUCTURAL CHEMISTRY (2010)
Enhanced detonation sensitivities of silicon analogs of PETN: reaction force analysis and the role of σ-hole interactions
Jane S. Murray et al.
THEORETICAL CHEMISTRY ACCOUNTS (2010)
Binding Mechanisms in Supramolecular Complexes
Hans-Joerg Schneider
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2009)
Theoretical studies on the nature of bonding in σ-hole complexes
A. Mohajeri et al.
CHEMICAL PHYSICS LETTERS (2009)
Electrostatically Driven Complexes of SiF4 With Amines
Peter Politzer et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2009)
Br center dot center dot center dot O Complexes as Probes of Factors Affecting Halogen Bonding: Interactions of Bromobenzenes and Bromopyrimidines with Acetone
Kevin E. Riley et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2009)
Expansion of the σ-hole concept
Jane S. Murray et al.
JOURNAL OF MOLECULAR MODELING (2009)
Halogen bonding in supramolecular chemistry
Pierangelo Metrangolo et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2008)
Halogen bonded supramolecular complexes and networks
Kari Rissanen
CRYSTENGCOMM (2008)
Homoleptic selenium cyanides:: Attempted preparation of Se(CN)4 and redetermination of the crystal structure of Se(CN)2
Thomas M. Klapoetke et al.
INORGANIC CHEMISTRY (2008)
Simultaneous α-Hole and Hydrogen Bonding by Sulfur- and Selenium-Containing Heterocycles
Jane S. Murray et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2008)
Investigations into the nature of halogen bonding including symmetry adapted perturbation theory analyses
Kevin E. Riley et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2008)
Why are dimethyl sulfoxide and dimethyl sulfone such good solvents?
Timothy Clark et al.
JOURNAL OF MOLECULAR MODELING (2008)
Blue shifts vs red shifts in σ-hole bonding
Jane S. Murray et al.
JOURNAL OF MOLECULAR MODELING (2008)
σ-hole bonding between like atoms;: a fallacy of atomic charges
Peter Politzer et al.
JOURNAL OF MOLECULAR MODELING (2008)
σ-hole bonding and hydrogen bonding:: Competitive interactions
Peter Politzer et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2007)
A predicted new type of directional noncovalent interaction
Jane S. Murray et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2007)
σ-hole bonding:: molecules containing group VI atoms
Jane S. Murray et al.
JOURNAL OF MOLECULAR MODELING (2007)
Halogen bonding and the design of new materials: organic bromides, chlorides and perhaps even fluorides as donors
Peter Politzer et al.
JOURNAL OF MOLECULAR MODELING (2007)
Variability in halogen interactions: In situ cryocrystallization of low melting substituted trifluoroacetophenones
Deepak Chopra et al.
CRYSTAL GROWTH & DESIGN (2007)
QTPIE:: Charge transfer with polarization current equalization.: A fluctuating charge model with correct asymptotics
Jiahao Chen et al.
CHEMICAL PHYSICS LETTERS (2007)
Unusual halogen-bonded complex FBrδ+•••δ+BrF and hydrogen-bonded complex FBrδ+•••δ+HF formed by interactions between two positively charged atoms of different polar molecules
Fang-Fang Wang et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Halogen bonding in crystal structure of 1-methylpyrrol-2-yl trichloromethyl ketone
Elzbieta Bilewicz et al.
JOURNAL OF MOLECULAR STRUCTURE (2007)
Halogen bonding:: the σ-hole
Timothy Clark et al.
JOURNAL OF MOLECULAR MODELING (2007)
The nature of halogen ... halogen synthons: Crystallographic and theoretical studies
Firas F. Awwadi et al.
CHEMISTRY-A EUROPEAN JOURNAL (2006)
Semiempirical GGA-type density functional constructed with a long-range dispersion correction
Stefan Grimme
JOURNAL OF COMPUTATIONAL CHEMISTRY (2006)
Complexation of gaseous guests by solid host I.: Quantitative thermodynamic approach for the reactions of β-cyclodextrin with amines using data in aqueous solution
Alexander G. Grechin et al.
THERMOCHIMICA ACTA (2006)
Theoretical investigations on chalcogen-chalcogen interactions:: What makes these nonbonded interactions bonding?
C Bleiholder et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2006)
Triangular halogen trimers. A DFT study of the structure, cooperativity, and vibrational properties
YX Lu et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2005)
Halogen bonding based recognition processes: A world parallel to hydrogen bonding
P Metrangolo et al.
ACCOUNTS OF CHEMICAL RESEARCH (2005)
The nature of the supramolecular association of 1,2,5-chalcogenadiazoles
AF Cozzolino et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2005)
Theoretical study on the blueshifting halogen bond
WZ Wang et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2004)
Halogen bonds in biological molecules
P Auffinger et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2004)
Blue-shifting hydrogen bonds
K Hermansson
JOURNAL OF PHYSICAL CHEMISTRY A (2002)
Quantitative evaluation of weak nonbonded Se•••F interactions and their remarkable nature as orbital interactions
M Iwaoka et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2002)
Enthalpy-entropy compensation: a phantom phenomenon
A Cornish-Bowden
JOURNAL OF BIOSCIENCES (2002)
Isokinetic relationship, isoequilibrium relationship, and enthalpy-entropy compensation
L Liu et al.
CHEMICAL REVIEWS (2001)