- Home
- Publications
- Publication Search
- Publication Details
Title
Hydrogen bonding characterization in water and small molecules
Authors
Keywords
-
Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 146, Issue 24, Pages 244315
Publisher
AIP Publishing
Online
2017-06-30
DOI
10.1063/1.4990504
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- Natural Bond Orbitals and the Nature of the Hydrogen Bond
- (2017) Anthony J. Stone JOURNAL OF PHYSICAL CHEMISTRY A
- Hydrogen-Bonding Polarizable Intermolecular Potential Model for Water
- (2016) Hao Jiang et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Molecular orbital analysis of the hydrogen bonded water dimer
- (2016) Bo Wang et al. Scientific Reports
- Correlation between electron delocalization and structural planarization in small water rings
- (2015) Bo Wang et al. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
- Electronic delocalization in small water rings
- (2015) Bo Wang et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Covalency of hydrogen bonds in liquid water can be probed by proton nuclear magnetic resonance experiments
- (2015) Hossam Elgabarty et al. Nature Communications
- Hydrogen Bond Cooperativity and the Three-Dimensional Structures of Water Nonamers and Decamers
- (2014) Cristóbal Pérez et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- van der Waals density functionals built upon the electron-gas tradition: Facing the challenge of competing interactions
- (2014) Kristian Berland et al. JOURNAL OF CHEMICAL PHYSICS
- Exchange functional that tests the robustness of the plasmon description of the van der Waals density functional
- (2014) Kristian Berland et al. PHYSICAL REVIEW B
- Are Bond Critical Points Really Critical for Hydrogen Bonding?
- (2013) Joseph R. Lane et al. Journal of Chemical Theory and Computation
- Microscopic properties of liquid water from combined ab initio molecular dynamics and energy decomposition studies
- (2013) Rustam Z. Khaliullin et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Real-Space Identification of Intermolecular Bonding with Atomic Force Microscopy
- (2013) J. Zhang et al. SCIENCE
- Electronic signature of the instantaneous asymmetry in the first coordination shell of liquid water
- (2013) Thomas D. Kühne et al. Nature Communications
- The water hexamer: Three-body interactions, structures, energetics, and OH-stretch spectroscopy at finite temperature
- (2012) C. J. Tainter et al. JOURNAL OF CHEMICAL PHYSICS
- What is a hydrogen bond? Mutually consistent theoretical and experimental criteria for characterizing H-bonding interactions
- (2012) Frank Weinhold et al. MOLECULAR PHYSICS
- Robust three-body water simulation model
- (2011) C. J. Tainter et al. JOURNAL OF CHEMICAL PHYSICS
- The effects of charge transfer on the properties of liquid water
- (2011) Alexis J. Lee et al. JOURNAL OF CHEMICAL PHYSICS
- Improvement in hydrogen bond description using van der Waals-corrected DFT: The case of small water clusters
- (2009) Pier Luigi Silvestrelli CHEMICAL PHYSICS LETTERS
- van der Waals Interactions in Density Functional Theory Using Wannier Functions
- (2009) Pier Luigi Silvestrelli JOURNAL OF PHYSICAL CHEMISTRY A
- Hydrogen Bonding Described Using Dispersion-Corrected Density Functional Theory
- (2009) J. Samuel Arey et al. JOURNAL OF PHYSICAL CHEMISTRY B
- QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
- (2009) Paolo Giannozzi et al. JOURNAL OF PHYSICS-CONDENSED MATTER
- The hydrogen bond
- (2008) A.D. Buckingham et al. CHEMICAL PHYSICS LETTERS
- On the accuracy of density-functional theory exchange-correlation functionals for H bonds in small water clusters. II. The water hexamer and van der Waals interactions
- (2008) Biswajit Santra et al. JOURNAL OF CHEMICAL PHYSICS
- Electronic stress tensor description of chemical bonds using nonclassical bond order concept
- (2008) Paweł Szarek et al. JOURNAL OF CHEMICAL PHYSICS
- Analysis of charge transfer effects in molecular complexes based on absolutely localized molecular orbitals
- (2008) Rustam Z. Khaliullin et al. JOURNAL OF CHEMICAL PHYSICS
- Dissecting the Hydrogen Bond: A Quantum Monte Carlo Approach
- (2008) Fabio Sterpone et al. Journal of Chemical Theory and Computation
- Water Simulation Model with Explicit Three-Molecule Interactions
- (2008) R. Kumar et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Van der Waals Interactions in DFT Made Easy by Wannier Functions
- (2008) Pier Luigi Silvestrelli PHYSICAL REVIEW LETTERS
Publish scientific posters with Peeref
Peeref publishes scientific posters from all research disciplines. Our Diamond Open Access policy means free access to content and no publication fees for authors.
Learn MoreFind the ideal target journal for your manuscript
Explore over 38,000 international journals covering a vast array of academic fields.
Search