(Q46964286)

26 December 2017

title

Resonance vibrational Raman optical activity: a time-dependent density functional theory approach (English)

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26 December 2017

density functional theory

main subject

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based on heuristic

inferred from title

time-dependent density functional theory

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2

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author name string

Jensen L

series ordinal

1

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Krykunov M

series ordinal

3

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Schatz GC

series ordinal

4

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language of work or name

English

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publication date

1 October 2007

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26 December 2017

Journal of Chemical Physics

published in

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26 December 2017

volume

127

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issue

13

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page(s)

134101

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Raman optical activity comes of age

cites work

1 reference

Raman optical activity: a tool for protein structure analysis.

21 January 2018

1 reference

Structure and behaviour of biomolecules from Raman optical activity

21 January 2018

1 reference

UV resonance Raman-selective amide vibrational enhancement: quantitative methodology for determining protein secondary structure

21 January 2018

1 reference

Theory and method for calculating resonance Raman scattering from resonance polarizability derivatives

21 January 2018

1 reference

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

21 January 2018

1 reference

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

21 January 2018

1 reference

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

21 January 2018

1 reference

Tunable kHz deep ultraviolet (193-210 nm) laser for Raman application

21 January 2018

1 reference

Deep-UV Raman spectrometer tunable between 193 and 205 nm for structural characterization of proteins.

21 January 2018

1 reference

Surface-enhanced Raman optical activity on adenine in silver colloidal solution

21 January 2018

1 reference

Basis Set and Density Functional Dependence of Vibrational Raman Optical Activity Calculations

21 January 2018

1 reference

Quantum Chemical Calculation of Raman Intensities for Large Molecules: The Photoisomerization of [{Fe‘S4’(PR3)}2(N2H2)] (‘S4’2−= 1,2-bis(2-Mercaptophenylthio)-Ethane(2−))

21 January 2018

1 reference

An improved method for density functional calculations of the frequency-dependent optical rotation

21 January 2018

1 reference

Absolute configuration of chirally deuterated neopentane

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1063/1.2768533

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26 December 2017

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26 December 2017