Optical rotation calculations on large molecules using the approximate coupled cluster model CC2 and the resolution-of-the-identity approximation

Dispersion-Driven Conformational Isomerism in σ-Bonded Dimers of Larger Acenes

(2013) Stephan Ehrlich et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Analytic Molecular Hessian Calculations for CC2 and MP2 Combined with the Resolution of Identity Approximation

(2013) Daniel H. Friese et al.   Journal of Chemical Theory and Computation

Large scale polarizability calculations using the approximate coupled cluster model CC2 and MP2 combined with the resolution-of-the-identity approximation

(2012) Daniel H. Friese et al.   JOURNAL OF CHEMICAL PHYSICS

Ruthenium-Vinylhelicenes: Remote Metal-Based Enhancement and Redox Switching of the Chiroptical Properties of a Helicene Core

(2012) Emmanuel Anger et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Tuned Range-Separated Time-Dependent Density Functional Theory Applied to Optical Rotation

(2011) Monika Srebro et al.   Journal of Chemical Theory and Computation

Optical Rotation Calculated with Time-Dependent Density Functional Theory: The OR45 Benchmark

(2011) Monika Srebro et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Comparison of Time-Dependent Density-Functional Theory and Coupled Cluster Theory for the Calculation of the Optical Rotations of Chiral Molecules

(2008) T. Daniel Crawford et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Benchmarking the performance of spin-component scaled CC2 in ground and electronically excited states

(2008) Arnim Hellweg et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS