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Coupled-cluster calculations of optical rotation

Published:2003-05 Issue:5-6 Volume:373 Page:606-614
ISSN:0009-2614
Container-title:Chemical Physics Letters
language:en
Short-container-title:Chemical Physics Letters

Author:

Ruud Kenneth,Stephens Philip J.,Devlin Frank J.,Taylor Peter R.,Cheeseman James R.,Frisch Michael J.

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Reference34 articles.

1. Ab initio molecular optical rotations and absolute configurations

2. Absolute Stereochemistry of Chiral Molecules from ab Initio Theoretical and Experimental Molecular Optical Rotations

3. A comparison of ab initio optical rotations obtained with static and dynamic methods

4. Theory-Assisted Determination of Absolute Stereochemistry for Complex Natural Products via Computation of Molar Rotation Angles

5. Atomic Contributions to the Optical Rotation Angle as a Quantitative Probe of Molecular Chirality

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3. Importance of Polarizable Embedding for Computing Optical Rotation: The Case of Camphor in Ethanol;The Journal of Physical Chemistry Letters;2024-07-30

4. Formulation and Implementation of Frequency-Dependent Linear Response Properties with Relativistic Coupled Cluster Theory for GPU-Accelerated Computer Architectures;Journal of Chemical Theory and Computation;2024-01-09

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