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Modeling Complex Solvent Effects on the Optical Rotation of..:

Ruhee D'Cunha (8921372) ; T. Daniel Crawford (1487743)
https://figshare.com/articles/journal_contribution/Modeling_Complex_Solvent_Effects_on_the_Optical_Rotation_of_Chiral_Molecules_A_Combined_Molecular_Dynamics_and_Density_Functional_Theory_Study/14388035. , 1753

Link: https://doi.org/10.1021/acs.jpca.1c00803.s001

RT Journal
T1 <Title>Modeling Complex Solvent Effects on the Optical Rotation of Chiral Molecules: A Combined Molecular Dynamics and Density Functional Theory Study</Title>

UL https://suche.suub.uni-bremen.de/peid=base-ftsmithonian:oai:figshare.com:article_14388035&Exemplar=1&LAN=DE
				
A1 Ruhee D'Cunha (8921372)
A1 T. Daniel Crawford (1487743)
YR 1753
K1 Biophysics
K1 Biochemistry
K1 Genetics
K1 Computational Biology
K1 Biological Sciences not elsewhere classified
K1 Chemical Sciences not elsewhere classified
K1 Physical Sciences not elsewhere classified
K1 Information Systems not elsewhere classified
K1 Chiral Molecules
K1 time-dependent density-functional t
K1 rotation
K1 Molecular Dynamics
K1 chiral compound
K1 one-electron basis
K1 modeling Complex Solvent Effects
K1 bulk effects
K1 stereochemical configuration
K1 Optical Rotation
K1 Density Functional Theory Study
K1 solute
K1 ab initio predictions
K1 dynamics trajectory
JF https://figshare.com/articles/journal_contribution/Modeling_Complex_Solvent_Effects_on_the_Optical_Rotation_of_Chiral_Molecules_A_Combined_Molecular_Dynamics_and_Density_Functional_Theory_Study/14388035
LK http://dx.doi.org/https://doi.org/10.1021/acs.jpca.1c00803.s001
DO https://doi.org/10.1021/acs.jpca.1c00803.s001
SF ELIB - SuUB Bremen

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