Ground State of 1,6-Bridged [10] Annulenes:  Infrared and Raman Spectra and Density Functional Calculations

Cristina Gellini; Pier Remigio Salvi; Emanuel Vogel

doi:10.1021/jp993849e

Ground State of 1,6-Bridged [10] Annulenes: Infrared and Raman Spectra and Density Functional Calculations

The Journal of Physical Chemistry A ◽

10.1021/jp993849e ◽

2000 ◽

Vol 104 (14) ◽

pp. 3110-3116 ◽

Cited By ~ 12

Author(s):

Cristina Gellini ◽

Pier Remigio Salvi ◽

Emanuel Vogel

Keyword(s):

Raman Spectra ◽

Ground State ◽

Density Functional Calculations ◽

Density Functional ◽

Infrared And Raman Spectra

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Low-Frequency Vibrations ofall-trans-Retinal: Far-Infrared and Raman Spectra and Density Functional Calculations

The Journal of Physical Chemistry A ◽

10.1021/jp9724636 ◽

1998 ◽

Vol 102 (12) ◽

pp. 2131-2136 ◽

Cited By ~ 43

Author(s):

Francesco Luigi Gervasio ◽

Gianni Cardini ◽

Pier Remigio Salvi ◽

Vincenzo Schettino

Keyword(s):

Raman Spectra ◽

Density Functional Calculations ◽

Density Functional ◽

Low Frequency ◽

Far Infrared ◽

Infrared And Raman Spectra

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Vibrational Analysis of a Strongly Correlated System, Pentamethine Streptocyanine Dye, Based on Observed Infrared and Raman Spectra and Density Functional Calculations

The Journal of Physical Chemistry A ◽

10.1021/jp9823502 ◽

1998 ◽

Vol 102 (43) ◽

pp. 8413-8421 ◽

Cited By ~ 11

Author(s):

Kazuhiko Furuya ◽

Yoshio Inagaki ◽

Hajime Torii ◽

Yukio Furukawa ◽

Mitsuo Tasumi

Keyword(s):

Raman Spectra ◽

Density Functional Calculations ◽

Density Functional ◽

Vibrational Analysis ◽

Strongly Correlated ◽

Infrared And Raman Spectra ◽

Strongly Correlated System

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Resonance Raman spectra of uracil based on Kramers–Kronig relations using time-dependent density functional calculations and multireference perturbation theory

The Journal of Chemical Physics ◽

10.1063/1.1697371 ◽

2004 ◽

Vol 120 (24) ◽

pp. 11564-11577 ◽

Cited By ~ 62

Author(s):

Johannes Neugebauer ◽

Bernd A. Hess

Keyword(s):

Perturbation Theory ◽

Raman Spectra ◽

Density Functional Calculations ◽

Density Functional ◽

Resonance Raman ◽

Time Dependent ◽

Multireference Perturbation Theory ◽

Resonance Raman Spectra ◽

Dependent Density

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Fourier transform infrared and Raman spectra, vibrational assignment and density functional theory calculations of naphthazarin

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/s1386-1425(03)00186-0 ◽

2004 ◽

Vol 60 (1-2) ◽

pp. 111-120 ◽

Cited By ~ 22

Author(s):

Mansoureh Zahedi Tabrizi ◽

Sayyed Faramarz Tayyari ◽

Fariba Tayyari ◽

Mohammad Behforouz

Keyword(s):

Density Functional Theory ◽

Fourier Transform ◽

Raman Spectra ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Fourier Transform Infrared ◽

Infrared And Raman Spectra ◽

Vibrational Assignment ◽

Functional Theory

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Hybrid and gradient-corrected density functional theory computations of the cubane infrared and raman spectra

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(96)04915-9 ◽

1997 ◽

Vol 394 (1) ◽

pp. 15-18 ◽

Cited By ~ 25

Author(s):

Branko S. Jursic

Keyword(s):

Density Functional Theory ◽

Raman Spectra ◽

Density Functional ◽

Infrared And Raman Spectra ◽

Functional Theory ◽

Density Functional Theory Computations

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Ground State Properties of the Nucleic Acid Constituents Studied by Density Functional Calculations. 2. Comparison between Calculated and Experimental Vibrational Spectra of Uridine and Cytidine

The Journal of Physical Chemistry B ◽

10.1021/jp9921147 ◽

1999 ◽

Vol 103 (49) ◽

pp. 10934-10944 ◽

Cited By ~ 50

Author(s):

Nicolas Leulliot ◽

Mahmoud Ghomi ◽

Hervé Jobic ◽

Othman Bouloussa ◽

Vladimir Baumruk ◽

...

Keyword(s):

Nucleic Acid ◽

Vibrational Spectra ◽

Ground State ◽

Density Functional Calculations ◽

Density Functional ◽

Ground State Properties

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Ground-state properties of multivalent manganese oxides: Density functional and hybrid density functional calculations

Physical Review B ◽

10.1103/physrevb.75.195128 ◽

2007 ◽

Vol 75 (19) ◽

Cited By ~ 231

Author(s):

C. Franchini ◽

R. Podloucky ◽

J. Paier ◽

M. Marsman ◽

G. Kresse

Keyword(s):

Ground State ◽

Density Functional Calculations ◽

Density Functional ◽

Manganese Oxides ◽

Ground State Properties ◽

Hybrid Density Functional

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Density functional theory study of Fourier transform infrared and Raman spectra of 2-amino-5-chloro benzonitrile

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2007.11.028 ◽

2008 ◽

Vol 71 (2) ◽

pp. 465-470 ◽

Cited By ~ 42

Author(s):

V. Krishnakumar ◽

S. Dheivamalar

Keyword(s):

Density Functional Theory ◽

Fourier Transform ◽

Raman Spectra ◽

Density Functional ◽

Fourier Transform Infrared ◽

Infrared And Raman Spectra ◽

Density Functional Theory Study ◽

Functional Theory

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SiGe superlattice nanocrystal infrared and Raman spectra: A density functional theory study

Journal of Applied Physics ◽

10.1063/1.3686610 ◽

2012 ◽

Vol 111 (4) ◽

pp. 044306 ◽

Cited By ~ 8

Author(s):

Mudar A. Abdulsattar

Keyword(s):

Density Functional Theory ◽

Raman Spectra ◽

Density Functional ◽

Infrared And Raman Spectra ◽

Density Functional Theory Study ◽

Functional Theory

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Ground-State Properties of Nucleic Acid Constituents Studied by Density Functional Calculations. 3. Role of Sugar Puckering and Base Orientation on the Energetics and Geometry of 2‘-Deoxyribonucleosides and Ribonucleosides

The Journal of Physical Chemistry B ◽

10.1021/jp994077p ◽

2000 ◽

Vol 104 (18) ◽

pp. 4560-4568 ◽

Cited By ~ 62

Author(s):

Alexandre Hocquet ◽

Nicolas Leulliot ◽

Mahmoud Ghomi

Keyword(s):

Nucleic Acid ◽

Ground State ◽

Density Functional Calculations ◽

Density Functional ◽

Ground State Properties ◽

Sugar Puckering ◽

Base Orientation

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