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Computational studies of molecular hydrogen binding affinities: The role of dispersion forces, electrostatics, and orbital interactions
National licenceRoyal Society of Chemistry | 2006| -
Orbital-optimized opposite-spin scaled second-order correlation: An economical method to improve the description of open-shell molecules
National licenceAmerican Institute of Physics | 2007| -
Quartic-Scaling Analytical Energy Gradient of Scaled Opposite-Spin Second-Order Møller−Plesset Perturbation Theory
American Chemical Society | 2007| -
Scaled Opposite Spin Second Order Møller−Plesset Theory with Improved Physical Description of Long-Range Dispersion Interactions
American Chemical Society | 2005| -
Interaction of Molecular Hydrogen with Open Transition Metal Centers for Enhanced Binding in Metal-Organic Frameworks: A Computational Study
American Chemical Society | 2008| -
Scaled opposite-spin second order Møller–Plesset correlation energy: An economical electronic structure method
National licenceAmerican Institute of Physics | 2004| -
Identity of Green Plant Reaction Centers from Quantum Chemical Determination of Redox Potentials of Special Pairs
American Chemical Society | 2001| -
Semiempirical Double-Hybrid Density Functional with Improved Description of Long-Range Correlation
American Chemical Society | 2008| -
Unravelling the Origin of Intermolecular Interactions Using Absolutely Localized Molecular Orbitals
American Chemical Society | 2007| -
Analytical gradient of restricted second-order Møller–Plesset correlation energy with the resolution of the identity approximation, applied to the TCNE dimer anion complex
Online Contents | 2006|Contributors: Lochan, Rohini C. -
Scaled opposite-spin second order Møller-Plesset correlation energy: An economical electronic structure method
Online Contents | 2004|Contributors: Lochan, Rohini C. -
Advances in methods and algorithms in a modern quantum chemistry program package
National licenceRoyal Society of Chemistry | 2006| -
Advances in methods and algorithms in a modern quantum chemistry program package
Online Contents | 2006|Contributors: Lochan, Rohini C. -
Advances in molecular quantum chemistry contained in the Q-Chem 4 program package
Taylor & Francis Verlag | 2015| -
Advances in molecular quantum chemistry contained in the Q-Chem 4 program package
British Library Online Contents | 2015| -
Advances in molecular quantum chemistry contained in the Q-Chem 4 program package
Online Contents | 2015|Contributors: Lochan, Rohini C
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