(Q51936818)

English

Calculation of origin-independent optical rotation tensor components in approximate time-dependent density functional theory.

scientific article published in July 2006

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scholarly article

1 reference

Europe PubMed Central

PubMed publication ID

17 April 2018

http://europepmc.org/abstract/MED/16863339

Calculation of origin-independent optical rotation tensor components in approximate time-dependent density functional theory. (English)

1 reference

Europe PubMed Central

PubMed publication ID

17 April 2018

http://europepmc.org/abstract/MED/16863339

Jochen Autschbach

2

1 reference

Europe PubMed Central

PubMed publication ID

17 April 2018

http://europepmc.org/abstract/MED/16863339

author name string

Mykhaylo Krykunov

1

1 reference

Europe PubMed Central

PubMed publication ID

17 April 2018

http://europepmc.org/abstract/MED/16863339

language of work or name

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publication date

1 July 2006

1 reference

Europe PubMed Central

PubMed publication ID

17 April 2018

http://europepmc.org/abstract/MED/16863339

Journal of Chemical Physics

1 reference

Europe PubMed Central

PubMed publication ID

17 April 2018

http://europepmc.org/abstract/MED/16863339

125

1 reference

Europe PubMed Central

PubMed publication ID

17 April 2018

http://europepmc.org/abstract/MED/16863339

3

1 reference

Europe PubMed Central

PubMed publication ID

17 April 2018

http://europepmc.org/abstract/MED/16863339

34102

1 reference

Europe PubMed Central

PubMed publication ID

17 April 2018

http://europepmc.org/abstract/MED/16863339

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

1 reference

https://api.crossref.org/works/10.1063%2F1.2210474

21 January 2018

Time-dependent density functional calculations of optical rotatory dispersion including resonance wavelengths as a potentially useful tool for determining absolute configurations of chiral molecules

1 reference

https://api.crossref.org/works/10.1063%2F1.2210474

21 January 2018

Density-functional theory calculations of optical rotatory dispersion in the nonresonant and resonant frequency regions

1 reference

https://api.crossref.org/works/10.1063%2F1.2210474

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%2F1.2210474

21 January 2018

Generalized Gradient Approximation Made Simple

1 reference

https://api.crossref.org/works/10.1063%2F1.2210474

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%2F1.2210474

21 January 2018

Circular Dichroism of Helicenes Investigated by Time-Dependent Density Functional Theory

1 reference

https://api.crossref.org/works/10.1063%2F1.2210474

21 January 2018

Identifiers

10.1063/1.2210474

1 reference

Europe PubMed Central

PubMed publication ID

17 April 2018

http://europepmc.org/abstract/MED/16863339

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

17 April 2018

http://europepmc.org/abstract/MED/16863339

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