Generalized Normal Coordinates for the Vibrational Analysis of Molecular Dynamics Simulations-Reference-Cited by-同舟云学术

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Generalized Normal Coordinates for the Vibrational Analysis of Molecular Dynamics Simulations

Published:2011-06-01 Issue:7 Volume:7 Page:2028-2039
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Mathias Gerald¹,Baer Marcel D.²

Affiliation:

1. Lehrstuhl für BioMolekulare Optik, Ludwig−Maximilians Universität München, Oettingenstrasse 67, 80538 München, Germany

2. Chemical and Materials Science Division, Pacific Northwest National Laboratory, P.O. Box 999, Richland, Washington 99352, United States

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct2001304

Reference56 articles.

1. Structures and Vibrational Frequencies of the Quinones in Rb. sphaeroides Derived by a Combined Density Functional/Molecular Mechanics Approach

2. Deactivation of Rhodopsin in the Transition from the Signaling State Meta II to Meta III Involves a Thermal Isomerization of the Retinal Chromophore CN Double Bond

3. Assigning Protonation Patterns in Water Networks in Bacteriorhodopsin Based on Computed IR Spectra

4. Understanding the Infrared Spectrum of Bare CH 5 +

5. Structures and spectral signatures of protonated water networks in bacteriorhodopsin

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