Vibrational Spectra and Density Functional Calculations of Bridged [14]Annulenes with an Anthracene Perimeter

Laura Moroni; Cristina Gellini; Pier Remigio Salvi; Chung-Jing Liu; Emanuel Vogel

doi:10.1021/jp020221m

Vibrational Spectra and Density Functional Calculations of Bridged [14]Annulenes with an Anthracene Perimeter

The Journal of Physical Chemistry A ◽

10.1021/jp020221m ◽

2002 ◽

Vol 106 (28) ◽

pp. 6554-6562 ◽

Cited By ~ 3

Author(s):

Laura Moroni ◽

Cristina Gellini ◽

Pier Remigio Salvi ◽

Chung-Jing Liu ◽

Emanuel Vogel

Keyword(s):

Vibrational Spectra ◽

Density Functional Calculations ◽

Density Functional

Download Full-text

Density Functional Calculations of the Pseudorotational Flexibility and Vibrational Spectra of Tetrahydrofuran, Ribose and Deoxyribose

Spectroscopy of Biological Molecules: Modern Trends ◽

10.1007/978-94-011-5622-6_239 ◽

1997 ◽

pp. 529-530

Author(s):

M. Štrajbl ◽

V. Baumruk ◽

J. Florián ◽

J. Štěpanek

Keyword(s):

Vibrational Spectra ◽

Density Functional Calculations ◽

Density Functional

Download Full-text

Assignment of Vibrational Spectra of 1,10-Phenanthroline by Comparison with Frequencies and Raman Intensities from Density Functional Calculations

The Journal of Physical Chemistry A ◽

10.1021/jp0366116 ◽

2004 ◽

Vol 108 (5) ◽

pp. 734-742 ◽

Cited By ~ 57

Author(s):

Markus Reiher ◽

Georg Brehm ◽

Siegfried Schneider

Keyword(s):

Vibrational Spectra ◽

Density Functional Calculations ◽

Density Functional ◽

Raman Intensities

Download Full-text

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

Download Full-text

Molecular structure, electronic structure and vibrational spectra of metal-free, N,N′-dideuterio, and magnesium tetrakis(thiadiazole)porphyrazines: Density functional calculations

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2005.08.029 ◽

2005 ◽

Vol 755 (1-3) ◽

pp. 179-186 ◽

Cited By ~ 8

Author(s):

Xianxi Zhang ◽

Zhongqiang Liu ◽

Ning Sheng ◽

Jianzhuang Jiang

Keyword(s):

Molecular Structure ◽

Electronic Structure ◽

Vibrational Spectra ◽

Density Functional Calculations ◽

Density Functional ◽

Metal Free

Download Full-text

Vibrational spectra and conformations of 1,4-cyclohexadiene and its oxygen analogues: ab initio and density functional calculations

Journal of Molecular Structure ◽

10.1016/s0022-2860(98)00391-3 ◽

1998 ◽

Vol 470 (3) ◽

pp. 265-275 ◽

Cited By ~ 7

Author(s):

Seongho Moon ◽

Younghi Kwon ◽

Jaebum Choo

Keyword(s):

Ab Initio ◽

Vibrational Spectra ◽

Density Functional Calculations ◽

Density Functional

Download Full-text

Molecular and electronic structures as well as vibrational spectra assignment of biphenyl, 2,2′- and 4,4′-dichlorobiphenyl from density functional calculations

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2006.01.025 ◽

2006 ◽

Vol 763 (1-3) ◽

pp. 67-73 ◽

Cited By ~ 8

Author(s):

Xianxi Zhang ◽

Rimo Xi ◽

Jinting Liu ◽

Jianzhuang Jiang ◽

Ge Wang ◽

...

Keyword(s):

Vibrational Spectra ◽

Electronic Structures ◽

Density Functional Calculations ◽

Density Functional

Download Full-text

Isotope effects on the vibrational spectra of the Fe(Phen)2(NCS)2 spin-crossover complex studied by density functional calculations

Comptes Rendus Chimie ◽

10.1016/j.crci.2004.11.032 ◽

2005 ◽

Vol 8 (8) ◽

pp. 1317-1325 ◽

Cited By ~ 16

Author(s):

Villő K. Pálfi ◽

Thomas Guillon ◽

Hauke Paulsen ◽

Gábor Molnár ◽

Azzedine Bousseksou

Keyword(s):

Vibrational Spectra ◽

Density Functional Calculations ◽

Density Functional ◽

Spin Crossover ◽

Isotope Effects

Download Full-text

Correlated ab initio and density functional calculations on small model molecules for the unit cell of polyparaphenylene in its aromatic and quinoidal forms: equilibrium geometries and vibrational spectra

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(02)00386-x ◽

2002 ◽

Vol 618 (1-2) ◽

pp. 65-84 ◽

Cited By ~ 11

Author(s):

Wolfgang Förner ◽

Wolfram Utz

Keyword(s):

Ab Initio ◽

Vibrational Spectra ◽

Density Functional Calculations ◽

Density Functional ◽

Unit Cell ◽

Small Model ◽

Equilibrium Geometries

Download Full-text

Vibrational Spectra (FT-IR, FT-Raman and NMR) of 1, 5-Difluoro-2,4-dinitrobenzene based on Density Functional Calculations

International Journal of Science and Research (IJSR) ◽

10.21275/art20164348 ◽

2017 ◽

Vol 6 (1) ◽

pp. 1683-1692

Keyword(s):

Vibrational Spectra ◽

Density Functional Calculations ◽

Density Functional ◽

Ft Ir ◽

Ft Raman

Download Full-text

The Pentabromine(1+) Cation, Br5+. Local Density Functional Calculations and Vibrational Spectra

Zeitschrift für anorganische und allgemeine Chemie ◽

10.1002/zaac.19926120110 ◽

1992 ◽

Vol 612 (6) ◽

pp. 51-55 ◽

Cited By ~ 9

Author(s):

K. O. Christe ◽

D. A. Dixon ◽

R. Minkwitz

Keyword(s):

Vibrational Spectra ◽

Density Functional Calculations ◽

Density Functional ◽

Local Density ◽

Local Density Functional

Download Full-text