Electronic energies, geometries, and vibrational frequencies of the ground and low‐lying excited states of the boron trimer

Ramon Hernandez; Jack Simons

doi:10.1063/1.459819

Electronic energies, geometries, and vibrational frequencies of the ground and low‐lying excited states of the boron trimer

The Journal of Chemical Physics ◽

10.1063/1.459819 ◽

1991 ◽

Vol 94 (4) ◽

pp. 2961-2967 ◽

Cited By ~ 41

Author(s):

Ramon Hernandez ◽

Jack Simons

Keyword(s):

Excited States ◽

Vibrational Frequencies

Download Full-text

ChemInform Abstract: Correspondences of the Vibrational Frequencies of the Ground and Electronic Excited States of Quinoxaline as Revealed by the Raman Intensities.

Chemischer Informationsdienst ◽

10.1002/chin.197627036 ◽

1976 ◽

Vol 7 (27) ◽

pp. no-no

Author(s):

NOBUHIRO OHTA ◽

MITSUO ITO

Keyword(s):

Excited States ◽

Vibrational Frequencies ◽

Electronic Excited States ◽

Raman Intensities

Download Full-text

Theoretical studies of 2-quinolinol: Geometries, vibrational frequencies, isomerization, tautomerism, and excited states

Chemical Physics Letters ◽

10.1016/j.cplett.2014.08.033 ◽

2014 ◽

Vol 613 ◽

pp. 29-33 ◽

Cited By ~ 8

Author(s):

Yi Pan ◽

Kai-Chung Lau ◽

Muneerah Mogren Al-Mogren ◽

Ahmed Mahjoub ◽

Majdi Hochlaf

Keyword(s):

Excited States ◽

Vibrational Frequencies ◽

Theoretical Studies

Download Full-text

A unitary group based open‐shell coupled cluster study of vibrational frequencies in ground and excited states of first row diatomics

The Journal of Chemical Physics ◽

10.1063/1.471697 ◽

1996 ◽

Vol 104 (23) ◽

pp. 9555-9562 ◽

Cited By ~ 29

Author(s):

Xiangzhu Li ◽

Josef Paldus

Keyword(s):

Excited States ◽

Unitary Group ◽

Open Shell ◽

Vibrational Frequencies ◽

Coupled Cluster

Download Full-text

Structures and harmonic vibrational frequencies for excited states of diatomic molecules with CCSD(R12) and CCSD(F12) models

The Journal of Chemical Physics ◽

10.1063/1.3093947 ◽

2009 ◽

Vol 130 (12) ◽

pp. 124101 ◽

Cited By ~ 18

Author(s):

Jun Yang ◽

Christof Hättig

Keyword(s):

Excited States ◽

Diatomic Molecules ◽

Vibrational Frequencies

Download Full-text

Electronic structure of the trimethylenemethane diradical in its ground and electronically excited states: Bonding, equilibrium geometries, and vibrational frequencies

The Journal of Chemical Physics ◽

10.1063/1.1561052 ◽

2003 ◽

Vol 118 (15) ◽

pp. 6874-6883 ◽

Cited By ~ 66

Author(s):

Lyudmila V. Slipchenko ◽

Anna I. Krylov

Keyword(s):

Electronic Structure ◽

Excited States ◽

Vibrational Frequencies ◽

Electronically Excited States ◽

Electronically Excited ◽

Equilibrium Geometries

Download Full-text

Correspondences of the vibrational frequencies of the ground and electronic excited states of quinoxaline as revealed by the Raman intensities

Journal of Molecular Spectroscopy ◽

10.1016/0022-2852(76)90020-5 ◽

1976 ◽

Vol 59 (3) ◽

pp. 396-406 ◽

Cited By ~ 20

Author(s):

Nobuhiro Ohta ◽

Mitsuo Ito

Keyword(s):

Excited States ◽

Vibrational Frequencies ◽

Electronic Excited States ◽

Raman Intensities

Download Full-text

Ab initio/density functional study of vibrational frequencies of acridine in the ground and excited states

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(00)00836-8 ◽

2001 ◽

Vol 542 (1-3) ◽

pp. 189-198

Author(s):

T Kamisuki ◽

C Hirose

Keyword(s):

Ab Initio ◽

Excited States ◽

Density Functional ◽

Vibrational Frequencies ◽

Functional Study ◽

Density Functional Study

Download Full-text

Theoretical Studies of Ammonia–Halogen and Methylamine–Halogen Complexes: Geometries, Harmonic Vibrational Frequencies and Their Infrared Intensities, and Excited States of Ammonia–Chlorine Monofluoride Complex

Bulletin of the Chemical Society of Japan ◽

10.1246/bcsj.67.3172 ◽

1994 ◽

Vol 67 (12) ◽

pp. 3172-3178 ◽

Cited By ~ 7

Author(s):

Takao Kobayashi ◽

Hidenori Matsuzawa ◽

Suehiro Iwata

Keyword(s):

Excited States ◽

Vibrational Frequencies ◽

Theoretical Studies ◽

Infrared Intensities

Download Full-text

Molecular structure, vibrational frequencies, energetics, and excited states of the HOONO+ ions

The Journal of Chemical Physics ◽

10.1063/1.1531661 ◽

2003 ◽

Vol 118 (4) ◽

pp. 1721-1728 ◽

Cited By ~ 1

Author(s):

John D. Watts ◽

Joseph S. Francisco

Keyword(s):

Molecular Structure ◽

Excited States ◽

Vibrational Frequencies

Download Full-text

The DFT and MP2 based computational scrutiny on blue-shifted H–F stretching vibrational frequencies in hydrogen-fluoride complexes with nitriles: Insights into the decisive role of intermolecular hydrogen bonding (IMHB) in ground and electronic excited states

Arabian Journal of Chemistry ◽

10.1016/j.arabjc.2015.06.003 ◽

2019 ◽

Vol 12 (8) ◽

pp. 2833-2852 ◽

Cited By ~ 1

Author(s):

Zahra Khoshbin ◽

Heidar Raissi ◽

Maryam Zaboli

Keyword(s):

Hydrogen Bonding ◽

Excited States ◽

Hydrogen Fluoride ◽

Decisive Role ◽

Vibrational Frequencies ◽

Intermolecular Hydrogen Bonding ◽

Electronic Excited States ◽

Fluoride Complexes

Download Full-text