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

Infrared Spectra ◽

Density Functional ◽

Matrix Isolation ◽

Infrared spectra of syn and anti isomers of benzaldoxime and pyridine-4-aldoxime: an experimental matrix isolation and theoretical density functional theory study

Vibrational Spectroscopy ◽

10.1016/s0924-2031(01)00101-1 ◽

2001 ◽

Vol 26 (1) ◽

pp. 65-82 ◽

Cited By ~ 27

Author(s):

Tetyana Stepanenko ◽

Leszek Lapinski ◽

Maciej J Nowak ◽

Ludwik Adamowicz

Keyword(s):

Infrared Spectra ◽

Density Functional ◽

Matrix Isolation ◽

Theoretical Density ◽

Tautomerism and infrared spectra of 2-thiopurine: an experimental matrix isolation and theoretical ab initio and density functional theory study

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/s1386-1425(00)00394-2 ◽

2001 ◽

Vol 57 (2) ◽

pp. 375-383 ◽

Cited By ~ 13

Author(s):

Tetyana Stepanenko ◽

Leszek Lapinski ◽

Maciej J Nowak ◽

Józef S Kwiatkowski ◽

Jerzy Leszczynski

Keyword(s):

Ab Initio ◽

Infrared Spectra ◽

Density Functional ◽

Matrix Isolation ◽

Methylene imino radical H2CN : matrix isolation ESR and density functional theory study

Molecular Physics ◽

10.1080/002689799165107 ◽

1999 ◽

Vol 96 (6) ◽

pp. 993-1000 ◽

Cited By ~ 2

Author(s):

PAUL H. KASAI

Keyword(s):

Density Functional ◽

Matrix Isolation ◽

Importance of Entropy in the Conformational Equilibrium of Phenylalanine: A Matrix-Isolation Infrared Spectroscopy and Density Functional Theory Study

The Journal of Physical Chemistry A ◽

10.1021/jp0550715 ◽

2006 ◽

Vol 110 (7) ◽

pp. 2360-2370 ◽

Cited By ~ 64

Author(s):

A. Kaczor ◽

I. D. Reva ◽

L. M. Proniewicz ◽

R. Fausto

Keyword(s):

Infrared Spectroscopy ◽

Density Functional ◽

Conformational Equilibrium ◽

Matrix Isolation ◽

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 ◽

Solar Cells ◽

Band Gap ◽

Density Functional ◽

Bulk Heterojunction ◽

Structure Property ◽

Functional Theory ◽

Heterojunction Solar Cells

Infrared Matrix Isolation and Density Functional Theory Study of Intermediates in the Reactions of OVCl3and CrCl2O2with H2O

The Journal of Physical Chemistry A ◽

10.1021/jp020118x ◽

2002 ◽

Vol 106 (19) ◽

pp. 4998-5004 ◽

Cited By ~ 14

Author(s):

Bethany L. Subel ◽

David A. Kayser ◽

Bruce S. Ault

Keyword(s):

Density Functional ◽

Matrix Isolation ◽

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 ◽

Functional Theory ◽

Vibration Spectra

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 ◽

Solvent Effects ◽

Density Functional ◽

Vibrational Frequencies ◽

Functional Theory ◽

Nlo Properties

Spectroscopic identification of 2,4-pyrimidinedithiol; an experimental matrix isolation and ab initio Hartree–Fock and density functional theory study

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/s1386-1425(97)00278-3 ◽

1998 ◽

Vol 54 (5) ◽

pp. 685-693 ◽

Cited By ~ 20

Author(s):

Leszek Lapinski ◽

Maciej J. Nowak ◽

Robert Kołos ◽

Józef S. Kwiatkowski ◽

Jerzy Leszczyński

Keyword(s):

Ab Initio ◽

Density Functional ◽

Matrix Isolation ◽

Functional Theory ◽

Hartree Fock ◽

Spectroscopic Identification

Density functional theory study of the proton-bound rare-gas dimers Rg2H+ and (RgHRg′)+ (Rg=Ar, Kr, Xe): Interpretation of experimental matrix isolation infrared data

The Journal of Chemical Physics ◽

10.1063/1.476729 ◽

1998 ◽

Vol 109 (6) ◽

pp. 2162-2168 ◽

Cited By ~ 38

Author(s):

Travis D. Fridgen ◽

J. Mark Parnis

Keyword(s):

Density Functional ◽

Matrix Isolation ◽

Rare Gas ◽

Functional Theory ◽

Infrared Data