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Theoretical and Computational Chemistry

Working Paper

Origin Invariant Full Optical Rotation Tensor in the Length Dipole Gauge without London Atomic Orbitals

Marco Caricato

Version 1 posted 08 April 2021

207

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Organic Chemistry

Working Paper

Correlation Between Optical Activity and the Helical Molecular Orbitals of Allene and Cumulenes

Marc Hamilton Garner, Clemence Corminboeuf

Version 1 posted 04 September 2020

536

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Analytical Chemistry

Working Paper

The Open Polarimeter: A High-Resolution Instrument Made from Inexpensive Optomechanical Parts

Andrew Harvie, John de Mello

Version 1 posted 23 October 2020

354

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Theoretical and Computational Chemistry

Working Paper

Theoretical Study of the Isotope Effect in Optical Rotation

Brian Faintich, Taylor Parsons, Ty Balduf, Marco Caricato

Version 2 posted 05 August 2024

133

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Theoretical and Computational Chemistry

Working Paper

First Principles Simulations of Optical Rotation of Chiral Molecular Crystals

Emmanuel Forson, Taylor Parsons, Marco Caricato

Version 2 posted 15 July 2024

112

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Theoretical and Computational Chemistry

Working Paper

Origin Invariant Molecular Orbital Decomposition of Optical Rotation

Ty Balduf, Marco Caricato

Version 2 posted 06 December 2022

122

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Theoretical and Computational Chemistry

Working Paper

Gauge Dependence of the S Molecular Orbital Space Decomposition of Optical Rotation

Ty Balduf, Marco Caricato

Version 1 posted 29 October 2020

268

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Theoretical and Computational Chemistry

Working Paper

On the Choice of Coordinate Origin in Length Gauge Optical Rotation Calculations

Taylor Parsons, Ty Balduf, Marco Caricato

Version 1 posted 10 March 2023

97

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Theoretical and Computational Chemistry

Working Paper

Basis Set Dependence of Optical Rotation Calculations with Different Choices of Gauge

Taylor Parsons, Ty Balduf, James Cheeseman, Marco Caricato

Version 1 posted 04 March 2022

298

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Refine Search

9 results in optical rotation in Keywords: optical rotation

Origin Invariant Full Optical Rotation Tensor in the Length Dipole Gauge without London Atomic Orbitals

Correlation Between Optical Activity and the Helical Molecular Orbitals of Allene and Cumulenes

The Open Polarimeter: A High-Resolution Instrument Made from Inexpensive Optomechanical Parts

Theoretical Study of the Isotope Effect in Optical Rotation

First Principles Simulations of Optical Rotation of Chiral Molecular Crystals

Origin Invariant Molecular Orbital Decomposition of Optical Rotation

Gauge Dependence of the S Molecular Orbital Space Decomposition of Optical Rotation

On the Choice of Coordinate Origin in Length Gauge Optical Rotation Calculations

Basis Set Dependence of Optical Rotation Calculations with Different Choices of Gauge

9 results in Keywords: optical rotation