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Assessment of the Performance of the M05−2X and M06−2X Exchange-Correlation Functionals for Noncovalent Interactions in Biomolecules
American Chemical Society | 2008| -
Improvement of the coupled-cluster singles and doubles method via scaling same- and opposite-spin components of the double excitation correlation energy
National licenceAmerican Institute of Physics | 2008| -
Desorption electrospray ionization reactions between host crown ethers and the influenza neuraminidase inhibitor oseltamivir for the rapid screening of Tamiflu®
National licenceRoyal Society of Chemistry | 2008| -
Improvement of the coupled-cluster singles and doubles method via scaling same- and opposite-spin components of the double excitation correlation energy
Online Contents | 2008|Contributors: Hohenstein, Edward G. -
Desorption electrospray ionization reactions between host crown ethers and the influenza neuraminidase inhibitor oseltamivir for the rapid screening of Tamiflu®
Online Contents | 2008|Contributors: Hohenstein, Edward G. -
Effects of Heteroatoms on Aromatic π−π Interactions: Benzene−Pyridine and Pyridine Dimer
American Chemical Society | 2009| -
Effects of Heteroatoms on Aromatic π−π Interactions: Benzene−Pyridine and Pyridine Dimer
Online Contents | 2009| -
Assessment of standard force field models against high-quality ab initio potential curves for prototypes of π-π, CH-π, and SH-π interactionsThis work is dedicated in memory of Tamer Sinnokrot.
Online Contents | 2009|Contributors: Hohenstein, Edward G. -
Density fitting of intramonomer correlation effects in symmetry-adapted perturbation theory
National licenceAmerican Institute of Physics | 2010| -
Density fitting and Cholesky decomposition approximations in symmetry-adapted perturbation theory: Implementation and application to probe the nature of π-π interactions in linear acenes
National licenceAmerican Institute of Physics | 2010| -
Density fitting of intramonomer correlation effects in symmetry-adapted perturbation theory
Online Contents | 2010| -
Efficient evaluation of triple excitations in symmetry-adapted perturbation theory via second-order Mo&slash;ller–Plesset perturbation theory natural orbitals
National licenceAmerican Institute of Physics | 2010|
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