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Charge Transport in Nanostructured Materials: Implementation and Verification of Constrained Density Functional Theory
American Chemical Society | 2017| -
Planarity and multiple components promote organic photovoltaic efficiency by improving electronic transport
National licenceRoyal Society of Chemistry | 2016| -
IDENTIFICATION AND VERIFICATION OF BEHAVIOR AND EVENTS DURING INTERACTIONS
Free accessEuropean Patent Office | 2024| -
Restricted active space spin-flip (RAS-SF) with arbitrary number of spin-flips
National licenceRoyal Society of Chemistry | 2012| -
IDENTIFICATION AND VERIFICATION OF BEHAVIOR AND EVENTS DURING INTERACTIONS
Free accessEuropean Patent Office | 2024| -
Restricted active space spin-flip configuration interaction: Theory and examples for multiple spin flips with odd numbers of electrons
National licenceAmerican Institute of Physics | 2012| -
Intra-molecular Charge Transfer and Electron Delocalization in Non-fullerene Organic Solar Cells
American Chemical Society | 2018| -
A Quasidegenerate Second-Order Perturbation Theory Approximation to RAS-nSF for Excited States and Strong Correlations
Online Contents | 2014|Contributors: Goldey, Matthew -
Beyond Energies: Geometries of Nonbonded Molecular Complexes as Metrics for Assessing Electronic Structure Approaches
Online Contents | 2015|Contributors: Goldey, Matthew -
Achieving High-Accuracy Intermolecular Interactions by Combining Coulomb-Attenuated Second-Order Møller–Plesset Perturbation Theory with Coupled Kohn–Sham Dispersion
Online Contents | 2014|Contributors: Goldey, Matthew -
Restricted active space spin-flip configuration interaction: Theory and examples for multiple spin flips with odd numbers of electrons
Online Contents | 2012|Contributors: Goldey, Matthew -
Restricted active space spin-flip (RAS-SF) with arbitrary number of spin-flips
Online Contents | 2012|Contributors: Goldey, Matthew -
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| -
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package
Free accessBASE | 2021|
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