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 ◽

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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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 ◽

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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Ultraviolet–visible absorption, Raman, vibration spectra of pure silver and Ag–Cu clusters: A density functional theory study

Physica B Condensed Matter ◽

10.1016/j.physb.2014.06.017 ◽

2014 ◽

Vol 451 ◽

pp. 96-105 ◽

Author(s):

Weiyin Li ◽

Fuyi Chen

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Pure Silver ◽

Visible Absorption ◽

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 ◽

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 ◽

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

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 ◽

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 ◽

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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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 ◽

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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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 ◽

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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Corrole as a Binucleating Ligand: Preparation, Molecular Structure and Density Functional Theory Study of Diboron Corroles

Journal of the American Chemical Society ◽

10.1021/ja077785u ◽

2008 ◽

Vol 130 (10) ◽

pp. 2888-2889 ◽

Author(s):

Amelia M. Albrett ◽

Jeanet Conradie ◽

Peter D. W. Boyd ◽

George R. Clark ◽

Abhik Ghosh ◽

...

Keyword(s):

Molecular Structure ◽

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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Density functional theory study on molecular structure and vibrational IR spectra of isocytosine

International Journal of Quantum Chemistry ◽

10.1002/(sici)1097-461x(1997)61:3<453::aid-qua12>3.0.co;2-a ◽

1997 ◽

Vol 61 (3) ◽

pp. 453-465 ◽

Author(s):

J�zef S. Kwiatkowski ◽

Jerzy Leszczynski

Keyword(s):

Molecular Structure ◽

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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