Year of publication
Type of media
Source
Subject
Type of material
Licence
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Synonyms were used for: Physics
Search without synonyms: journal:(The Journal of Chemical Physics)
Used synonyms:
- physik
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A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
National licenceAmerican Institute of Physics | 2010| -
An efficient and near linear scaling pair natural orbital based local coupled cluster method
National licenceAmerican Institute of Physics | 2013| -
Perspective: Coarse-grained models for biomolecular systems
Free accessAmerican Institute of Physics | 2013| -
Perspective: Advances and challenges in treating van der Waals dispersion forces in density functional theory
Free accessAmerican Institute of Physics | 2012| -
Continuous surface charge polarizable continuum models of solvation. I. General formalism
National licenceAmerican Institute of Physics | 2010| -
Identification of slow molecular order parameters for Markov model construction
National licenceAmerican Institute of Physics | 2013| -
Markov models of molecular kinetics: Generation and validation
National licenceAmerican Institute of Physics | 2011| -
Ab initio calculation of anisotropic magnetic properties of complexes. I. Unique definition of pseudospin Hamiltonians and their derivation
National licenceAmerican Institute of Physics | 2012| -
Canonical sampling through velocity rescaling
National licenceAmerican Institute of Physics | 2007| -
Atom-centered symmetry functions for constructing high-dimensional neural network potentials
National licenceAmerican Institute of Physics | 2011| -
Accurate and efficient algorithm for Bader charge integration
National licenceAmerican Institute of Physics | 2011| -
Microscopic theory of singlet exciton fission. II. Application to pentacene dimers and the role of superexchange
National licenceAmerican Institute of Physics | 2013| -
Benchmark oxygen-oxygen pair-distribution function of ambient water from x-ray diffraction measurements with a wide Q-range
National licenceAmerican Institute of Physics | 2013| -
Perspective: Stochastic algorithms for chemical kinetics
Free accessAmerican Institute of Physics | 2013| -
Density-functional approaches to noncovalent interactions: A comparison of dispersion corrections (DFT-D), exchange-hole dipole moment (XDM) theory, and specialized functionals
National licenceAmerican Institute of Physics | 2011| -
The relationship of dynamical heterogeneity to the Adam-Gibbs and random first-order transition theories of glass formation
National licenceAmerican Institute of Physics | 2013|
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