scholarly journals A systematic benchmarking of computational vibrational spectroscopy with DFTB3: Normal mode analysis and fast Fourier transform dipole autocorrelation function

2018 ◽  
Vol 39 (25) ◽  
pp. 2067-2078 ◽  
Author(s):  
V. S. Sandeep Inakollu ◽  
Haibo Yu
Keyword(s):  
Fourier Transform ◽  
Fast Fourier Transform ◽  
Normal Mode ◽  
Autocorrelation Function ◽  
Vibrational Spectroscopy ◽  
Normal Mode Analysis ◽  
Mode Analysis

Vibrational Spectroscopy and Normal-Mode Analysis of Tungsten−Methylidyne Complexes. Insight into the Nature of the M⋮CH Bonds

2000 ◽  
Vol 104 (46) ◽  
pp. 10928-10939 ◽  
Author(s):  
Joseph Manna ◽  
Richard F. Dallinger ◽  
Vincent M. Miskowski ◽  
Michael D. Hopkins
Keyword(s):  
Normal Mode ◽  
Vibrational Spectroscopy ◽  
Normal Mode Analysis ◽  
Mode Analysis ◽  
Insight Into

scholarly journals Vibrational Spectroscopy and Normal-Mode Analysis of Fe(II) Octaethylporphyrin

2006 ◽  
Vol 110 (26) ◽  
pp. 13277-13282 ◽  
Author(s):  
Valeriia Starovoitova ◽  
Timo E. Budarz ◽  
Graeme R. A. Wyllie ◽  
W. Robert Scheidt ◽  
Wolfgang Sturhahn ◽  
...  
Keyword(s):  
Normal Mode ◽  
Vibrational Spectroscopy ◽  
Normal Mode Analysis ◽  
Mode Analysis

RAMAN SPECTRA OF TITANIUM DI-, TRI-, AND TETRA-CHLORIDES

2001 ◽  
Vol 15 (28n30) ◽  
pp. 3865-3868 ◽  
Author(s):  
H. MIYAOKA ◽  
T. KUZE ◽  
H. SANO ◽  
H. MORI ◽  
G. MIZUTANI ◽  
...  
Keyword(s):  
Force Constant ◽  
Raman Spectra ◽  
Normal Mode ◽  
Raman Band ◽  
Normal Mode Analysis ◽  
Force Constants ◽  
Mode Analysis ◽  
Oxidation Number

We have obtained the Raman spectra of TiCl n (n= 2, 3, and 4). Assignments of the observed Raman bands were made by a normal mode analysis. The force constants were determined from the observed Raman band frequencies. We have found that the Ti-Cl stretching force constant increases as the oxidation number of the Ti species increases.

scholarly journals Normal mode analysis of spectral density of FMO trimers: Intra- and intermonomer energy transfer

2020 ◽  
Vol 153 (21) ◽  
pp. 215103
Author(s):  
Alexander Klinger ◽  
Dominik Lindorfer ◽  
Frank Müh ◽  
Thomas Renger
Keyword(s):  
Energy Transfer ◽  
Spectral Density ◽  
Normal Mode ◽  
Normal Mode Analysis ◽  
Mode Analysis

scholarly journals Normal-mode analysis for scalar fields in BTZ black-hole background

2009 ◽  
Vol 60 (2) ◽  
pp. 169-173 ◽  
Author(s):  
Sayan K. Chakrabarti ◽  
Pulak Ranjan Giri ◽  
Kumar S. Gupta
Keyword(s):  
Black Hole ◽  
Normal Mode ◽  
Normal Mode Analysis ◽  
Scalar Fields ◽  
Mode Analysis ◽  
Btz Black Hole ◽  
Black Hole Background
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