The ab initio assigning of the vibrational probing modes of tryptophan: linear shifting of approximate anharmonic frequencies vs. multiplicative scaling of harmonic frequencies-Reference-Cited by-同舟云学术

The ab initio assigning of the vibrational probing modes of tryptophan: linear shifting of approximate anharmonic frequencies vs. multiplicative scaling of harmonic frequencies

Published:2009 Issue:20 Volume:11 Page:3921
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Kabeláč Martin,Hobza Pavel,Špirko Vladimír

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2009/CP/B823373J

Reference24 articles.

1. Harmonic Vibrational Frequencies: An Evaluation of Hartree−Fock, Møller−Plesset, Quadratic Configuration Interaction, Density Functional Theory, and Semiempirical Scale Factors

2. Harmonic Vibrational Frequencies: Scaling Factors for HF, B3LYP, and MP2 Methods in Combination with Correlation Consistent Basis Sets

3. Conformational landscapes of aromatic amino acids in the gas phase: Infrared and ultraviolet ion dip spectroscopy of tryptophan

4. Intramolecular interactions in protonated peptides: H+PheGlyGly and H+GlyGlyPhe

5. Assigning the NH Stretches of the Guanine Tautomers Using Adiabatic Separation: CCSD(T) Benchmark Calculations

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