Toward a uniform description of hydrogen bonds and halogen bonds: correlations of interaction energies with various geometric, electronic and topological parameters
Published 2017 View Full Article
- Home
- Publications
- Publication Search
- Publication Details
Title
Toward a uniform description of hydrogen bonds and halogen bonds: correlations of interaction energies with various geometric, electronic and topological parameters
Authors
Keywords
-
Journal
RSC Advances
Volume 7, Issue 17, Pages 10295-10305
Publisher
Royal Society of Chemistry (RSC)
Online
2017-02-07
DOI
10.1039/c6ra27590g
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- Hydrogen-Bond Accepting Properties of New Heteroaromatic Ring Chemical Motifs: A Theoretical Study
- (2016) Jérôme Graton et al. Journal of Chemical Information and Modeling
- Hydrogen Bond Basicity Prediction for Medicinal Chemistry Design
- (2016) Peter W. Kenny et al. JOURNAL OF MEDICINAL CHEMISTRY
- Accurate ab initio calculations of O–H⋯O and O–H⋯−O proton chemical shifts: towards elucidation of the nature of the hydrogen bond and prediction of hydrogen bond distances
- (2015) Michael G. Siskos et al. ORGANIC & BIOMOLECULAR CHEMISTRY
- Correlations of NBO energies of individual hydrogen bonds in nucleic acid base pairs with some QTAIM parameters
- (2015) Halina Szatylowicz et al. STRUCTURAL CHEMISTRY
- Electron density Laplacian and halogen bonds
- (2015) Vincent Tognetti et al. THEORETICAL CHEMISTRY ACCOUNTS
- Halogen Bonds in Crystal Engineering: Like Hydrogen Bonds yet Different
- (2014) Arijit Mukherjee et al. ACCOUNTS OF CHEMICAL RESEARCH
- Tuning the Halogen/Hydrogen Bond Competition: A Spectroscopic and Conceptual DFT Study of Some Model Complexes Involving CHF2I
- (2014) Nick Nagels et al. CHEMISTRY-A EUROPEAN JOURNAL
- Competition between Hydrogen and Halogen Bonding Interactions: Theoretical and Crystallographic Studies
- (2014) Firas F. Awwadi et al. CRYSTAL GROWTH & DESIGN
- Theoretical Prediction of Hydrogen-Bond Basicity pKBHX Using Quantum Chemical Topology Descriptors
- (2014) Anthony J. Green et al. Journal of Chemical Information and Modeling
- A Molecular Electrostatic Potential Analysis of Hydrogen, Halogen, and Dihydrogen Bonds
- (2014) Neetha Mohan et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Hydrogen bonding, halogen bonding and lithium bonding: an atoms in molecules and natural bond orbital perspective towards conservation of total bond order, inter- and intra-molecular bonding
- (2014) Abhishek Shahi et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- The hydrogen bond – practice and QTAIM theory
- (2014) M. Rozenberg RSC Advances
- Charge-Assisted Halogen Bonding: Donor-Acceptor Complexes with Variable Ionicity
- (2013) Julien Lieffrig et al. CHEMISTRY-A EUROPEAN JOURNAL
- Comparing Counterpoise-Corrected, Uncorrected, and Averaged Binding Energies for Benchmarking Noncovalent Interactions
- (2013) Lori A. Burns et al. Journal of Chemical Theory and Computation
- Theoretical investigations on the hydrogen bonding of nitrile isomers with H2O, HF, NH3and H2S
- (2013) V. Umadevi et al. MOLECULAR SIMULATION
- Definition of the halogen bond (IUPAC Recommendations 2013)
- (2013) Gautam R. Desiraju et al. PURE AND APPLIED CHEMISTRY
- Linear free energy relationships in halogen bonds
- (2012) Ibon Alkorta et al. CRYSTENGCOMM
- Principles and Applications of Halogen Bonding in Medicinal Chemistry and Chemical Biology
- (2012) Rainer Wilcken et al. JOURNAL OF MEDICINAL CHEMISTRY
- Correlations between Computation and Experimental Thermodynamics of Halogen Bonding
- (2012) Michael G. Chudzinski et al. JOURNAL OF ORGANIC CHEMISTRY
- What is a hydrogen bond? Mutually consistent theoretical and experimental criteria for characterizing H-bonding interactions
- (2012) Frank Weinhold et al. MOLECULAR PHYSICS
- Halogen bonding (X-bonding): A biological perspective
- (2012) Matthew R. Scholfield et al. PROTEIN SCIENCE
- Theoretical Study on Cooperativity Effects between Anion-π and Halogen-Bonding Interactions
- (2011) Carolina Estarellas et al. CHEMPHYSCHEM
- Comprehensive study of the interaction between hydrogen halides and methanol derivatives
- (2011) Heidar Raissi et al. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
- Cooperativity between the hydrogen bonding and halogen bonding in F3CX ··· NCH(CNH) ··· NCH(CNH) complexes (X=Cl, Br)
- (2011) Mohammad Solimannejad et al. MOLECULAR PHYSICS
- Halogen Atoms in the Modern Medicinal Chemistry: Hints for the Drug Design
- (2010) Marcelo Hernandes et al. CURRENT DRUG TARGETS
- On the Difference of the Properties between the Blue-Shifting Halogen Bond and the Blue-Shifting Hydrogen Bond
- (2010) Weizhou Wang et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Competition between hydrogen bond and halogen bond in complexes of formaldehyde with hypohalous acids
- (2010) Qingzhong Li et al. 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
- Some measures for making halogen bonds stronger than hydrogen bonds in H2CS–HOX (X = F, Cl, and Br) complexes
- (2010) Qing-Zhong Li et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Halogen Bonding: A Supramolecular Entry for Assembling Nanoparticles
- (2009) Tanya Shirman et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Anion coordination and anion-templated assembly under halogen bonding control
- (2009) Pierangelo Metrangolo et al. CRYSTENGCOMM
- Ion Pairs or Neutral Molecule Adducts? Cooperativity in Hydrogen Bonding
- (2009) Roger L. DeKock et al. JOURNAL OF CHEMICAL EDUCATION
- Hydrogen Bonding, Electrostatic Potential, and Molecular Design
- (2009) Peter W. Kenny Journal of Chemical Information and Modeling
- Theoretical Prediction of Hydrogen Bond Strength for Use in Molecular Modeling
- (2009) Monika Nocker et al. Journal of Chemical Information and Modeling
- Halogen BondingA Novel Interaction for Rational Drug Design?
- (2009) Yunxiang Lu et al. JOURNAL OF MEDICINAL CHEMISTRY
- Predicting Hydrogen-Bond Strengths from Acid−Base Molecular Properties. The pKaSlide Rule: Toward the Solution of a Long-Lasting Problem
- (2008) Paola Gilli et al. ACCOUNTS OF CHEMICAL RESEARCH
- Transfer of electron density as a result of hydrogen bond formation
- (2008) Nina Sadlej-Sosnowska INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
- Blue shifts vs red shifts in σ-hole bonding
- (2008) Jane S. Murray et al. JOURNAL OF MOLECULAR MODELING
- Competition of Hydrogen Bonds and Halogen Bonds in Complexes of Hypohalous Acids with Nitrogenated Bases
- (2008) Ibon Alkorta et al. JOURNAL OF PHYSICAL CHEMISTRY A
Find Funding. Review Successful Grants.
Explore over 25,000 new funding opportunities and over 6,000,000 successful grants.
ExploreBecome a Peeref-certified reviewer
The Peeref Institute provides free reviewer training that teaches the core competencies of the academic peer review process.
Get Started