(Q51293840)

English

Calculation of optical rotation with time-periodic magnetic-field-dependent basis functions in approximate time-dependent density-functional theory.

scientific article published in September 2005

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scholarly article

1 reference

Europe PubMed Central

PubMed publication ID

2 April 2018

http://europepmc.org/abstract/MED/16392547

Calculation of optical rotation with time-periodic magnetic-field-dependent basis functions in approximate time-dependent density-functional theory. (English)

1 reference

Europe PubMed Central

PubMed publication ID

2 April 2018

http://europepmc.org/abstract/MED/16392547

Jochen Autschbach

2

1 reference

Europe PubMed Central

PubMed publication ID

2 April 2018

http://europepmc.org/abstract/MED/16392547

author name string

Mykhaylo Krykunov

1

1 reference

Europe PubMed Central

PubMed publication ID

2 April 2018

http://europepmc.org/abstract/MED/16392547

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publication date

1 September 2005

1 reference

Europe PubMed Central

PubMed publication ID

2 April 2018

http://europepmc.org/abstract/MED/16392547

Journal of Chemical Physics

1 reference

Europe PubMed Central

PubMed publication ID

2 April 2018

http://europepmc.org/abstract/MED/16392547

123

1 reference

Europe PubMed Central

PubMed publication ID

2 April 2018

http://europepmc.org/abstract/MED/16392547

11

1 reference

Europe PubMed Central

PubMed publication ID

2 April 2018

http://europepmc.org/abstract/MED/16392547

114103

1 reference

Europe PubMed Central

PubMed publication ID

2 April 2018

http://europepmc.org/abstract/MED/16392547

Optical rotation: recent advances in determining the absolute configuration

1 reference

https://api.crossref.org/works/10.1063%2F1.2032428

21 January 2018

Ab initio calculation of optical rotation in (P)-(+)-[4]triangulane

1 reference

https://api.crossref.org/works/10.1063%2F1.2032428

21 January 2018

Density-functional thermochemistry. III. The role of exact exchange

1 reference

https://api.crossref.org/works/10.1063%2F1.2032428

21 January 2018

Density-functional generalized-gradient and hybrid calculations of electromagnetic properties using Slater basis sets.

1 reference

https://api.crossref.org/works/10.1063%2F1.2032428

21 January 2018

Causality and Symmetry in Time-Dependent Density-Functional Theory

1 reference

https://api.crossref.org/works/10.1063%2F1.2032428

21 January 2018

Density-Functional Theory for Time-Dependent Systems

1 reference

https://api.crossref.org/works/10.1063%2F1.2032428

21 January 2018

Density Functional Study of H-D Coupling Constants in Heavy Metal Dihydrogen and Dihydride Complexes: The Role of Geometry, Spin-Orbit Coupling, and Gradient Corrections in the Exchange-Correlation Kernel.

1 reference

https://api.crossref.org/works/10.1063%2F1.2032428

21 January 2018

Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis

1 reference

https://api.crossref.org/works/10.1063%2F1.2032428

21 January 2018

Generalized Gradient Approximation Made Simple

1 reference

https://api.crossref.org/works/10.1063%2F1.2032428

21 January 2018

Ab initio calculation of optical rotatory dispersion (ORD) curves: a simple and reliable approach to the assignment of the molecular absolute configuration

1 reference

https://api.crossref.org/works/10.1063%2F1.2032428

21 January 2018

Polarizable Continuum Model (PCM) Calculations of Solvent Effects on Optical Rotations of Chiral Molecules

1 reference

https://api.crossref.org/works/10.1063%2F1.2032428

21 January 2018

Identifiers

10.1063/1.2032428

1 reference

Europe PubMed Central

PubMed publication ID

2 April 2018

http://europepmc.org/abstract/MED/16392547

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

2 April 2018

http://europepmc.org/abstract/MED/16392547

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