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A general spin-complete spin-flip configuration interaction method
Royal Society of Chemistry | 2018| -
Gripper for manipulating planar workpiece in tight-fitting receptacle
Free accessEuropean Patent Office | 2017| -
Analytic Gradients for the Spin-Flip ORMAS-CI Method: Optimizing Minima, Saddle Points, and Conical Intersections
American Chemical Society | 2019| -
Analytic Gradients for the Effective Fragment Molecular Orbital Method
American Chemical Society | 2016| -
Gripper for manipulating planar workpiece in tight-fitting receptacle
Free accessEuropean Patent Office | 2016| -
Photoisomerization of Stilbene: A Spin-Flip Density Functional Theory Approach
American Chemical Society | 2011| -
Nonlinear response time-dependent density functional theory combined with the effective fragment potential method
American Institute of Physics | 2014| -
Hybrid Distributed/Shared Memory Model for the RI-MP2 Method in the Fragment Molecular Orbital Framework
American Chemical Society | 2019| -
Optimizing Conical Intersections by Spin−Flip Density Functional Theory: Application to Ethylene
American Chemical Society | 2009| -
Optimizing conical intersections of solvated molecules: The combined spin-flip density functional theory/effective fragment potential method
National licenceAmerican Institute of Physics | 2012| -
Editorial: Modern Architectures and Their Impact on Electronic Structure Theory
American Chemical Society | 2020|
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