The T1 resonance Raman spectra of 1,3,5‐hexatriene and its deuterated isotopomers: An ab initio re‐investigation

The Journal of Chemical Physics ◽

10.1063/1.469664 ◽

1995 ◽

Vol 103 (7) ◽

pp. 2412-2419 ◽

Author(s):

Fabrizia Negri ◽

Giorgio Orlandi

Keyword(s):

Ab Initio ◽

Raman Spectra ◽

Resonance Raman ◽

Resonance Raman Spectra

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Symmetry breaking effects in NO3−: Raman spectra of nitrate salts and ab initio resonance Raman spectra of nitrate–water complexes

The Journal of Chemical Physics ◽

10.1063/1.1355657 ◽

2001 ◽

Vol 114 (14) ◽

pp. 6249-6258 ◽

Author(s):

Mark R. Waterland ◽

David Stockwell ◽

Anne Myers Kelley

Keyword(s):

Symmetry Breaking ◽

Ab Initio ◽

Raman Spectra ◽

Resonance Raman ◽

Nitrate Salts ◽

Resonance Raman Spectra

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Ab initio and density functional study of the resonance Raman spectra of Methyl Red, Ethyl Red and their protonated derivatives

Journal of Raman Spectroscopy ◽

10.1002/(sici)1097-4555(199806)29:6<447::aid-jrs265>3.0.co;2-r ◽

1998 ◽

Vol 29 (6) ◽

pp. 447-462 ◽

Author(s):

Stephen Bell ◽

Alison Bisset ◽

Trevor J. Dines

Keyword(s):

Ab Initio ◽

Raman Spectra ◽

Density Functional ◽

Resonance Raman ◽

Functional Study ◽

Density Functional Study ◽

Resonance Raman Spectra

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ChemInform Abstract: Ab initio Transform Calculation of Resonance Raman Spectra of Uracil, 1-Methyluracil, and 5-Methyluracil.

10.1002/chin.199605027 ◽

2010 ◽

Vol 27 (5) ◽

pp. no-no

Author(s):

T. III RUSH ◽

W. L. PETICOLAS

Keyword(s):

Ab Initio ◽

Raman Spectra ◽

Resonance Raman ◽

Resonance Raman Spectra

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Ultraviolet resonance Raman spectra and ab initio vibrational analyses of 1,4-benzoquinone: reassignments of the ν2 and ν3 bands

Chemical Physics Letters ◽

10.1016/s0009-2614(96)01121-9 ◽

1996 ◽

Vol 262 (5) ◽

pp. 643-648 ◽

Author(s):

Xiaojie Zhao ◽

Hiroshi Imahori ◽

Chang-Guo Zhan ◽

Yasuhisa Mizutani ◽

Yoshiteru Sakata ◽

...

Keyword(s):

Ab Initio ◽

Raman Spectra ◽

Resonance Raman ◽

Resonance Raman Spectra ◽

Ultraviolet Resonance Raman

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Ab Initio Transform Calculation of Resonance Raman Spectra of Uracil, 1-Methyluracil, and 5-Methyluracil

The Journal of Physical Chemistry ◽

10.1021/j100040a012 ◽

1995 ◽

Vol 99 (40) ◽

pp. 14647-14658 ◽

Author(s):

Thomas III Rush ◽

Warner L. Peticolas

Keyword(s):

Ab Initio ◽

Raman Spectra ◽

Resonance Raman ◽

Resonance Raman Spectra

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Ab initio calculations of the ultraviolet resonance Raman spectra of uracil

Journal of Computational Chemistry ◽

10.1002/jcc.540161008 ◽

1995 ◽

Vol 16 (10) ◽

pp. 1261-1270 ◽

Author(s):

Warner L. Peticolas ◽

Thomas Rush

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Raman Spectra ◽

Resonance Raman ◽

Resonance Raman Spectra ◽

Ultraviolet Resonance Raman

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Structure of the triplet excited state of tetrabromo-p-benzoquinone from time-resolved resonance Raman spectra and ab initio calculations

Chemical Physics Letters ◽

10.1016/s0009-2614(01)00184-1 ◽

2001 ◽

Vol 337 (1-3) ◽

pp. 224-230 ◽

Author(s):

Mrinalini Puranik ◽

Jayaraman Chandrasekhar ◽

Siva Umapathy

Keyword(s):

Excited State ◽

Ab Initio Calculations ◽

Ab Initio ◽

Raman Spectra ◽

Resonance Raman ◽

Triplet Excited State ◽

Time Resolved ◽

Resonance Raman Spectra

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Computing Bulk Phase Resonance Raman Spectra from ab Initio Molecular Dynamics and Real-Time TDDFT

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.9b00512 ◽

2019 ◽

Vol 15 (7) ◽

pp. 3901-3905 ◽

Author(s):

Martin Brehm ◽

Martin Thomas

Keyword(s):

Molecular Dynamics ◽

Ab Initio ◽

Real Time ◽

Raman Spectra ◽

Resonance Raman ◽

Ab Initio Molecular Dynamics ◽

Resonance Raman Spectra ◽

Phase Resonance

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Resonance raman spectra of the overcooled laser-induced Al plasmas

10.2351/1.5061363 ◽

2008 ◽

Author(s):

X. K. Shen ◽

H. Ling ◽

Y. F. Lu

Keyword(s):

Raman Spectra ◽

Resonance Raman ◽

Resonance Raman Spectra

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Resonance Raman spectra of the pyridoxal coenzyme in aspartate aminotransferase. Evidence for pyridine protonation and a novel photochemical H/D exchange at the imine carbon atom.

Journal of Biological Chemistry ◽

10.1016/s0021-9258(17)39083-x ◽

1985 ◽

Vol 260 (21) ◽

pp. 11671-11678

Author(s):

M J Benecky ◽

R A Copeland ◽

R P Rava ◽

R Feldhaus ◽

R D Scott ◽

...

Keyword(s):

Carbon Atom ◽

Raman Spectra ◽

Aspartate Aminotransferase ◽

Resonance Raman ◽

Resonance Raman Spectra

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