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Hydrogen Bonding Described Using Dispersion-Corrected Density Functional Theory
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Outgoing claims: the papers this work cites, builds on, or argues with.
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On Differences between Hydrogen Bonding and Improper Blue‐Shifting Hydrogen Bonding
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Molecular Spectra and Molecular Structure
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Hydrogen Bonding in Biological Structures
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The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals
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MP2 energy evaluation by direct methods
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Comparison of Morokuma and perturbation theory approaches to decomposition of interaction energy. (NH4)+…NH3
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Can (semi)local density functional theory account for the London dispersion forces?
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Hydrogen bonding in biological structures
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Outline of a transition-state hydrogen-bond theory
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Towards an unified hydrogen-bond theory
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From silicon to RNA: The coming of age of ab initio molecular dynamics
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Benchmark Databases for Nonbonded Interactions and Their Use To Test Density Functional Theory
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Assessment of Model Chemistries for Noncovalent Interactions
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Density Functionals for Noncovalent Interaction Energies of Biological Importance
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Weakly Bonded Complexes of Aliphatic and Aromatic Carbon Compounds Described with Dispersion Corrected Density Functional Theory
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Accurate DFT Descriptions for Weak Interactions of Molecules Containing Sulfur
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The nature of the chemical bond—1992
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Properties of Hydrogen-Bonded Complexes Obtained from the B3LYP Functional with 6-31G(d,p) and 6-31+G(d,p) Basis Sets: Comparison with MP2/6-31+G(d,p) Results and Experimental Data
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Robust and Affordable Multicoefficient Methods for Thermochemistry and Thermochemical Kinetics: The MCCM/3 Suite and SAC/3
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Basis Set Limit Coupled Cluster Study of H-Bonded Systems and Assessment of More Approximate Methods
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Importance of van der Waals Interactions in Liquid Water
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Predicting the binding energies of H-bonded complexes: A comparative DFT study
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Benchmark database of accurate (MP2 and CCSD(T) complete basis set limit) interaction energies of small model complexes, DNA base pairs, and amino acid pairs
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Development of density functionals for thermochemical kinetics
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A new local density functional for main-group thermochemistry, transition metal bonding, thermochemical kinetics, and noncovalent interactions
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A complete basis set model chemistry. VI. Use of density functional geometries and frequencies
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Towards standard methods for benchmark quality ab initio thermochemistry—W1 and W2 theory
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Density-functional exchange-energy approximation with correct asymptotic behavior
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Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
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Efficient pseudopotentials for plane-wave calculations
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Water adsorption on metal surfaces: A general picture from density functional theory studies
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Performance of optimized atom-centered potentials for weakly bonded systems using density functional theory
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Multicenter-type corrections to standard DFT exchange and correlation functionals
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van der Waals Energies in Density Functional Theory
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Optimization of Effective Atom Centered Potentials for London Dispersion Forces in Density Functional Theory
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Molecular Spectra and Molecular Structure. I. Spectra of Diatomic Molecules
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AB Initio Studies of Hydrogen Bonds: The Water Dimer Paradigm
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Density-Functional Theory of the Electronic Structure of Molecules
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Atom-Centered Potentials to Describe Dispersion Forces in Density Functional Theory
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An introduction to hydrogen bonding
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