Molecular structure and vibrational assignment of α-chloro acetylacetone: A density functional theory study

A. F. Jalbout; M. Ali Naseri; M. Fazli; H. Raissi; M. Rezaei; A. Nowroozi; A. de Leon

doi:10.1002/qua.21725

Molecular structure and vibrational assignment of α-chloro acetylacetone: A density functional theory study

International Journal of Quantum Chemistry ◽

10.1002/qua.21725 ◽

2009 ◽

Vol 109 (7) ◽

pp. 1481-1496 ◽

Cited By ~ 6

Author(s):

A. F. Jalbout ◽

M. Ali Naseri ◽

M. Fazli ◽

H. Raissi ◽

M. Rezaei ◽

...

Keyword(s):

Molecular Structure ◽

Density Functional Theory ◽

Density Functional ◽

Vibrational Assignment ◽

Density Functional Theory Study ◽

Functional Theory

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Molecular structure-property engineering of low-band-gap copolymers, based on fluorene, for efficient bulk heterojunction solar cells: A density functional theory study

Polymer Engineering & Science ◽

10.1002/pen.23354 ◽

2012 ◽

Vol 53 (5) ◽

pp. 1040-1052 ◽

Cited By ~ 18

Author(s):

A. Mabrouk ◽

A. Azazi ◽

K. Alimi

Keyword(s):

Molecular Structure ◽

Density Functional Theory ◽

Solar Cells ◽

Band Gap ◽

Density Functional ◽

Bulk Heterojunction ◽

Density Functional Theory Study ◽

Structure Property ◽

Functional Theory ◽

Heterojunction Solar Cells

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Density functional theory study on the molecular structure and vibration spectra of fenbufen

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2012.09.034 ◽

2013 ◽

Vol 101 ◽

pp. 119-126 ◽

Cited By ~ 1

Author(s):

Yue Yang ◽

Hongwei Gao

Keyword(s):

Molecular Structure ◽

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Vibration Spectra

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Solvent Effects on Molecular Structure, Vibrational Frequencies, and NLO Properties of N-(2,3-Dichlorophenyl)-2-Nitrobenzene–Sulfonamide: a Density Functional Theory Study

Brazilian Journal of Physics ◽

10.1007/s13538-016-0419-2 ◽

2016 ◽

Vol 46 (4) ◽

pp. 371-383 ◽

Cited By ~ 5

Author(s):

Nadia Benhalima ◽

Nourdine Boukabcha ◽

Ömer Tamer ◽

Abdelkader Chouaih ◽

Davut Avcı ◽

...

Keyword(s):

Molecular Structure ◽

Density Functional Theory ◽

Solvent Effects ◽

Density Functional ◽

Vibrational Frequencies ◽

Density Functional Theory Study ◽

Functional Theory ◽

Nlo Properties

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ChemInform Abstract: Molecular Structure and Vibrational Spectra of 9-Fluorenone Density Functional Theory Study.

ChemInform ◽

10.1002/chin.199713014 ◽

2010 ◽

Vol 28 (13) ◽

pp. no-no

Author(s):

S. Y. LEE ◽

B. H. BOO

Keyword(s):

Molecular Structure ◽

Density Functional Theory ◽

Vibrational Spectra ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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Molecular Structure and Infrared Spectra of Adenine. Experimental Matrix Isolation and Density Functional Theory Study of Adenine15N Isotopomers

The Journal of Physical Chemistry ◽

10.1021/jp9530008 ◽

1996 ◽

Vol 100 (9) ◽

pp. 3527-3534 ◽

Cited By ~ 140

Author(s):

Maciej J. Nowak ◽

Leszek Lapinski ◽

Józef S. Kwiatkowski ◽

Jerzy Leszczyński

Keyword(s):

Molecular Structure ◽

Density Functional Theory ◽

Infrared Spectra ◽

Density Functional ◽

Matrix Isolation ◽

Density Functional Theory Study ◽

Functional Theory

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Molecular structure of 5-methyl thiophene acryloyl ethyl thiolester: A vibrational spectroscopic and density functional theory study

Biospectroscopy ◽

10.1002/(sici)1520-6343(1999)5:4<201::aid-bspy1>3.0.co;2-1 ◽

1999 ◽

Vol 5 (4) ◽

pp. 201-218 ◽

Cited By ~ 3

Author(s):

Deendyal Dinakarpandian ◽

Paul R. Carey

Keyword(s):

Molecular Structure ◽

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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Density functional theory study of vibrational spectra part 5. Structure, dipole moment, and vibrational assignment of azulene

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/0584-8539(96)01684-4 ◽

1996 ◽

Vol 52 (10) ◽

pp. 1211-1220 ◽

Cited By ~ 9

Author(s):

Susan J. Mole ◽

Xuefeng Zhou ◽

Jeffrey G. Wardeska ◽

Ruifeng Liu

Keyword(s):

Density Functional Theory ◽

Dipole Moment ◽

Vibrational Spectra ◽

Density Functional ◽

Vibrational Assignment ◽

Density Functional Theory Study ◽

Functional Theory

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Molecular structure and vibrational assignment of 2-,4-,6-methylquinoline by density functional theory (DFT) and ab initio Hartree-Fock (HF) calculations

Vibrational Spectroscopy ◽

10.1016/j.vibspec.2006.05.016 ◽

2006 ◽

Vol 42 (2) ◽

pp. 325-332 ◽

Cited By ~ 11

Author(s):

Aysen E. Ozel ◽

Serda Kecel ◽

Sevim Akyuz

Keyword(s):

Molecular Structure ◽

Density Functional Theory ◽

Ab Initio ◽

Density Functional ◽

Vibrational Assignment ◽

Functional Theory ◽

Hartree Fock ◽

Hf Calculations

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Density functional theory study of molecular structure, Electronic properties, UV–Vis spectra on coumarin102.

Baghdad Science Journal ◽

10.21123/bsj.2016.13.2.2ncc.0143 ◽

2016 ◽

Vol 13 (2) ◽

pp. 143-152 ◽

Cited By ~ 1

Author(s):

Falah Mutlak ◽

◽

Ali Mohi ◽

Tariq Alwan ◽

◽

...

Keyword(s):

Molecular Structure ◽

Density Functional Theory ◽

Electronic Properties ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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Molecular structure and vibrational assignment of 1-[N-(2-pyridyl) aminomethylidene}-2(1H)-Naphtalenone by density functional theory (DFT) and ab initio Hartree–Fock (HF) calculations

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2014.11.002 ◽

2016 ◽

Vol 152 ◽

pp. 525-529 ◽

Cited By ~ 6

Author(s):

Hasan Tanak ◽

Mehmet Toy

Keyword(s):

Molecular Structure ◽

Density Functional Theory ◽

Ab Initio ◽

Density Functional ◽

Vibrational Assignment ◽

Functional Theory ◽

Hartree Fock ◽

Hf Calculations

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