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Gradients for the partitioned equation-of-motion coupled-cluster method
National licenceAmerican Institute of Physics | 1999| -
Comment on: The relation between intensity and dipole moment for bending modes in linear molecules
Free accessAmerican Institute of Physics | 1993| -
Gradients for the similarity transformed equation-of-motion coupled-cluster method
National licenceAmerican Institute of Physics | 1999| -
Relative Reactivity Volume Criterion for Cross-Linking: Application to Vinyl Ester Resin Molecular Dynamics Simulations
American Chemical Society | 2012| -
Second-order correction to perfect pairing: An inexpensive electronic structure method for the treatment of strong electron-electron correlations
National licenceAmerican Institute of Physics | 2006| -
Dispersion-Corrected Modified Embedded-Atom Method Bond Order Interatomic Potential for Sulfur
American Chemical Society | 2018| -
Approaching closed-shell accuracy for radicals using coupled cluster theory with perturbative triple substitutions
National licenceRoyal Society of Chemistry | 2003| -
Coupled‐cluster calculations of the excitation energies of ethylene, butadiene, and cyclopentadiene
National licenceAmerican Institute of Physics | 1996| -
Interatomic Potential for Hydrocarbons on the Basis of the Modified Embedded-Atom Method with Bond Order (MEAM-BO)
American Chemical Society | 2017| -
Using Histone H1 Derived Peptides to Investigate Binding Affinity and Inter-Domain Dynamics in Human Pin1
British Library Online Contents | 2019| -
Can coupled cluster singles and doubles be approximated by a valence active space model?
National licenceAmerican Institute of Physics | 2002|
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