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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: Jacobson, Leif D -
An efficient, fragment-based electronic structure method for molecular systems: Self-consistent polarization with perturbative two-body exchange and dispersion
National licenceAmerican Institute of Physics | 2011| -
A one-electron model for the aqueous electron that includes many-body electron-water polarization: Bulk equilibrium structure, vertical electron binding energy, and optical absorption spectrum
National licenceAmerican Institute of Physics | 2010| -
Automated Transition State Search and Its Application to Diverse Types of Organic Reactions
American Chemical Society | 2017| -
GRAPHICAL USER INTERFACE FOR CHEMICAL TRANSITION STATE CALCULATIONS
Free accessEuropean Patent Office | 2021| -
GRAPHICAL USER INTERFACE FOR CHEMICAL TRANSITION STATE CALCULATIONS
Free accessEuropean Patent Office | 2018| -
High-Dimensional Neural Network Potential for Liquid Electrolyte Simulations
American Chemical Society | 2022| -
Large Computational Survey of Intrinsic Reactivity of Aromatic Carbon Atoms with Respect to a Model Aldehyde Oxidase
American Chemical Society | 2023| -
Nature's most squishy ion: The important role of solvent polarization in the description of the hydrated electron
Taylor & Francis Verlag | 2011| -
Pattern-free generation and quantum mechanical scoring of ring-chain tautomers
Springer Verlag | 2021|
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