Vibrational spectra and potential energy distributions for 4,5-dichloro-3-hydroxypyridazine by density functional theory and normal coordinate calculations

Potential Energy ◽

Vibrational Spectra ◽

Density Functional ◽

Normal Coordinate ◽

Energy Distributions ◽

Vibrational Spectra and Potential Energy Distributions for 5-Chloro-2-nitroanisole by Density Functional Theory and Normal Coordinate Calculations

Asian Journal of Chemistry ◽

10.14233/ajchem.2016.19463 ◽

2016 ◽

Vol 28 (3) ◽

pp. 675-682 ◽

Cited By ~ 1

Author(s):

G. Venkatesh ◽

M. Govindaraju ◽

P. Vennila

Keyword(s):

Potential Energy ◽

Vibrational Spectra ◽

Density Functional ◽

Normal Coordinate ◽

Energy Distributions ◽

Molecular conformational analysis, vibrational spectra and normal coordinate analysis of trans-1,2-bis(3,5-dimethoxy phenyl)-ethene based on density functional theory calculations

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2013.11.077 ◽

2014 ◽

Vol 122 ◽

pp. 375-386 ◽

Cited By ~ 6

Author(s):

Lynnette Joseph ◽

D. Sajan ◽

K. Chaitanya ◽

Jayakumary Isac

Keyword(s):

Conformational Analysis ◽

Vibrational Spectra ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Normal Coordinate ◽

Study of vibrational spectra, normal coordinate analysis and molecular structure of 6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine using density functional theory

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2013.10.120 ◽

2014 ◽

Vol 121 ◽

pp. 420-429 ◽

Cited By ~ 12

Author(s):

S. Muthu ◽

A. Prabakaran

Keyword(s):

Molecular Structure ◽

Vibrational Spectra ◽

Density Functional ◽

Normal Coordinate ◽

Analytical potential energy function and vibrational spectra of OPSCN: density functional theory calculations

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2003.11.047 ◽

2004 ◽

Vol 676 (1-3) ◽

pp. 119-125

Author(s):

Abraham F. Jalbout ◽

Chia M. Chang ◽

M. Solimannejad

Keyword(s):

Potential Energy ◽

Vibrational Spectra ◽

Energy Function ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Potential Energy Function ◽

Functional Theory ◽

Analytical Potential

Conformational analysis, structure, and normal coordinate analysis of vibrational spectra of hexafluoroacetone. A density functional theory study

Journal of Fluorine Chemistry ◽

10.1016/j.jfluchem.2016.02.013 ◽

2016 ◽

Vol 184 ◽

pp. 65-71 ◽

Cited By ~ 7

Author(s):

Sayyed Faramarz Tayyari ◽

Mahboobeh Gholamhoseinpour ◽

Saeedreza Emamian ◽

Robert Erik Sammelson

Keyword(s):

Conformational Analysis ◽

Vibrational Spectra ◽

Density Functional ◽

Density Functional Theory Study ◽

Normal Coordinate ◽

Density functional theory study of vibrational spectra. 4. Comparison of experimental and calculated frequencies of all-trans-1,3,5,7-octatetraene — The end of normal coordinate analysis?

Vibrational Spectroscopy ◽

10.1016/0924-2031(96)00007-0 ◽

1996 ◽

Vol 12 (1) ◽

pp. 73-79 ◽

Cited By ~ 12

Author(s):

Xuefeng Zhou ◽

Susan J. Mole ◽

Ruifeng Liu

Keyword(s):

Vibrational Spectra ◽

Density Functional ◽

Density Functional Theory Study ◽

Normal Coordinate ◽

Vibrational spectra and potential energy distributions for 3-cyclopropenecarboxaldehyde by density functional and normal coordinate calculations

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(99)00395-4 ◽

2000 ◽

Vol 507 (1-3) ◽

pp. 207-215 ◽

Cited By ~ 4

Author(s):

H.M Badawi ◽

W Förner

Keyword(s):

Potential Energy ◽

Vibrational Spectra ◽

Density Functional ◽

Normal Coordinate ◽

Energy Distributions

Molecular Structure, Vibrational Spectra and Potential Energy Distribution of Colchicine Using ab Initio and Density Functional Theory

Journal of Computer Chemistry Japan ◽

10.2477/jccj.h2028 ◽

2009 ◽

Vol 8 (2) ◽

pp. 59-72 ◽

Cited By ~ 6

Author(s):

Shamoon Ahmad SIDDIQUI ◽

Apoorva DWIVEDI ◽

Anoop PANDEY ◽

P. K. SINGH ◽

Tanveer HASAN ◽

...

Keyword(s):

Molecular Structure ◽

Potential Energy ◽

Energy Distribution ◽

Ab Initio ◽

Vibrational Spectra ◽

Density Functional ◽

Potential Energy Distribution ◽

Molecular structure, vibrational spectra and potential energy distribution of protopine using ab initio and density functional theory

Journal of Structural Chemistry ◽

10.1007/s10947-009-0062-7 ◽

2009 ◽

Vol 50 (3) ◽

pp. 411-420 ◽

Cited By ~ 11

Author(s):

S. A. Siddiqui ◽

A. Dwivedi ◽

P. K. Singh ◽

T. Hasan ◽

S. Jain ◽

...

Keyword(s):

Molecular Structure ◽

Potential Energy ◽

Energy Distribution ◽

Ab Initio ◽

Vibrational Spectra ◽

Density Functional ◽

Potential Energy Distribution ◽

Conformational stabilities, rotational barriers, and vibrational spectra of 2-pyrrolecarboxaldehyde and 3-pyrrolecarboxaldehyde calculated using density functional theory

Журнал структурной химии ◽

10.26902/jsc_id39178 ◽

2019 ◽

Vol 60 (2) ◽

Keyword(s):

Vibrational Spectra ◽

Density Functional ◽

Functional Theory ◽

Rotational Barriers