Halogen Bonding from a Hard and Soft Acids and Bases Perspective: Investigation by Using Density Functional Theory Reactivity Indices
出版年份 2012 全文链接
标题
Halogen Bonding from a Hard and Soft Acids and Bases Perspective: Investigation by Using Density Functional Theory Reactivity Indices
作者
关键词
-
出版物
CHEMISTRY-A EUROPEAN JOURNAL
Volume 19, Issue 2, Pages 519-530
出版商
Wiley
发表日期
2012-11-21
DOI
10.1002/chem.201202567
参考文献
相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。- Correlations between Computation and Experimental Thermodynamics of Halogen Bonding
- (2012) Michael G. Chudzinski et al. JOURNAL OF ORGANIC CHEMISTRY
- Halogen Bonding in DNA Base Pairs
- (2012) Anna J. Parker et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Can Aromatic π-Clouds Complex Divalent Germanium and Tin Compounds? A DFT Study
- (2012) Lies Broeckaert et al. ORGANOMETALLICS
- On the origin of the steric effect
- (2012) Balazs Pinter et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Halogen Bonding versus Hydrogen Bonding: A Molecular Orbital Perspective
- (2012) Lando P. Wolters et al. ChemistryOpen
- The Halogen Bond and Internal Dynamics in the Molecular Complex of CF3Cl and H2O
- (2011) Luca Evangelisti et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- A 19F NMR study of C–I⋯π halogen bonding
- (2011) D. Hauchecorne et al. CHEMICAL PHYSICS
- The Diiodine Basicity Scale: Toward a General Halogen-Bond Basicity Scale
- (2011) Christian Laurence et al. CHEMISTRY-A EUROPEAN JOURNAL
- NCIPLOT: A Program for Plotting Noncovalent Interaction Regions
- (2011) Julia Contreras-García et al. Journal of Chemical Theory and Computation
- Applications of the ETS-NOCV method in descriptions of chemical reactions
- (2011) Mariusz Paweł Mitoraj et al. JOURNAL OF MOLECULAR MODELING
- Internal rotation and halogen bonds in CF3I⋯NH3 and CF3I⋯N(CH3)3 probed by broadband rotational spectroscopy
- (2011) Susanna L. Stephens et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Halogen as halogen-bonding donor and hydrogen-bonding acceptor simultaneously in ring-shaped H3N·X(Y)·HF (X = Cl, Br and Y = F, Cl, Br) Complexes
- (2011) Pan-Pan Zhou et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Halogen bonding to a divalent sulfur atom: an experimental study of the interactions of CF3X (X = Cl, Br, I) with dimethyl sulfide
- (2011) Dieter Hauchecorne et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- C–X⋯π halogen and C–H⋯π hydrogen bonding: interactions of CF3X (X = Cl, Br, I or H) with ethene and propene
- (2011) Dieter Hauchecorne et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Comparisons of the halogen-bonded and hydrogen-bonded complexes of furan, thiophene and pyridine with Lewis acids (ClF, HCl)
- (2011) Zhaoxu Wang et al. Computational and Theoretical Chemistry
- The electrostatic potential: an overview
- (2011) Jane S. Murray et al. Wiley Interdisciplinary Reviews-Computational Molecular Science
- A Tridentate Halogen-Bonding Receptor for Tight Binding of Halide Anions
- (2010) Mohammed G. Sarwar et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Systematic Investigation of Halogen Bonding in Protein-Ligand Interactions
- (2010) Leo A. Hardegger et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Directional Weak Intermolecular Interactions: σ-Hole Bonding
- (2010) Jane S. Murray et al. AUSTRALIAN JOURNAL OF CHEMISTRY
- The C–Cl⋯N halogen bond, the weaker relative of the C–I and C–Br⋯N halogen bonds, finally characterized in solution
- (2010) Dieter Hauchecorne et al. 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
- Theoretical Analysis of the Resonance Assisted Hydrogen Bond Based on the Combined Extended Transition State Method and Natural Orbitals for Chemical Valence Scheme†
- (2010) Rafał Kurczab et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Revealing Noncovalent Interactions
- (2010) Erin R. Johnson et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Competition between hydrogen bond and halogen bond in complexes of formaldehyde with hypohalous acids
- (2010) Qingzhong Li et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- The halogen bond: an interim perspective
- (2010) Anthony C. Legon PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Nonbonding interactions of organic halogens in biological systems: implications for drug discovery and biomolecular design
- (2010) Yunxiang Lu et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Halogen bonding: an electrostatically-driven highly directional noncovalent interaction
- (2010) Peter Politzer et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- CX⋅⋅⋅O Halogen Bonding: Interactions of Trifluoromethyl Halides with Dimethyl Ether
- (2009) Dieter Hauchecorne et al. CHEMPHYSCHEM
- Role of Halogen Bonds in Thyroid Hormone Receptor Selectivity: Pharmacophore-Based 3D-QSSR Studies
- (2009) Napoleão F. Valadares et al. Journal of Chemical Information and Modeling
- A Combined Charge and Energy Decomposition Scheme for Bond Analysis
- (2009) Mariusz P. Mitoraj et al. Journal of Chemical Theory and Computation
- Halogen Bonding: A Study based on the Electronic Charge Density
- (2009) Nancy J. Martinez Amezaga et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Nonporous Organic Solids Capable of Dynamically Resolving Mixtures of Diiodoperfluoroalkanes
- (2009) P. Metrangolo et al. SCIENCE
- Halogen Bonding in Supramolecular Chemistry
- (2008) Pierangelo Metrangolo et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- An unconventional halogen bond with carbene as an electron donor: An ab initio study
- (2008) Qingzhong Li et al. CHEMICAL PHYSICS LETTERS
- Blue shifts vs red shifts in σ-hole bonding
- (2008) Jane S. Murray et al. JOURNAL OF MOLECULAR MODELING
- Conceptual DFT: the chemical relevance of higher response functions
- (2008) P. Geerlings et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Add your recorded webinar
Do you already have a recorded webinar? Grow your audience and get more views by easily listing your recording on Peeref.
Upload NowBecome a Peeref-certified reviewer
The Peeref Institute provides free reviewer training that teaches the core competencies of the academic peer review process.
Get Started