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

Density Functional ◽

Matrix Isolation ◽

Rare Gas ◽

Functional Theory ◽

Infrared Data

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 ◽

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 ◽

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 ◽

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

Oxidation of Carbon Monoxide on Group 11 Metal Atoms: Matrix-Isolation Infrared Spectroscopic and Density Functional Theory Study

The Journal of Physical Chemistry A ◽

10.1021/jp055155d ◽

2006 ◽

Vol 110 (8) ◽

pp. 2655-2662 ◽

Cited By ~ 20

Author(s):

Qiang Xu ◽

Ling Jiang

Keyword(s):

Carbon Monoxide ◽

Density Functional ◽

Matrix Isolation ◽

Functional Theory ◽

Metal Atoms ◽

Infrared Spectroscopic ◽

Oxidation Of Carbon Monoxide

Vibrational spectrum and structure of silicon trioxide SiO3: A matrix isolation infrared and density functional theory study

The Journal of Chemical Physics ◽

10.1063/1.471100 ◽

1996 ◽

Vol 104 (8) ◽

pp. 2773-2781 ◽

Cited By ~ 20

Author(s):

Benoît Tremblay ◽

Pascale Roy ◽

Laurent Manceron ◽

M. Esmaïl Alikhani ◽

Denis Roy

Keyword(s):

Vibrational Spectrum ◽

Density Functional ◽

Matrix Isolation ◽

Photoisomerization reactions of 4-methoxy- and 4-hydroxy-6-methyl-α-pyrones: An experimental matrix isolation and theoretical density functional theory study

Physical Chemistry Chemical Physics ◽

10.1039/b308116h ◽

2003 ◽

Vol 5 (20) ◽

pp. 4527-4532 ◽

Cited By ~ 11

Author(s):

Susana Breda ◽

Leszek Lapinski ◽

Rui Fausto ◽

Maciej J. Nowak

Keyword(s):

Density Functional ◽

Matrix Isolation ◽

Theoretical Density ◽

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 ◽

Infrared Spectra ◽

Density Functional ◽

Matrix Isolation ◽

The infrared spectroscopy of HNCCC: matrix isolation and density functional theory study

Chemical Physics Letters ◽

10.1016/s0009-2614(01)00793-x ◽

2001 ◽

Vol 344 (5-6) ◽

pp. 625-630 ◽

Cited By ~ 29

Author(s):

Robert Kołos ◽

Andrzej L Sobolewski

Keyword(s):

Infrared Spectroscopy ◽

Density Functional ◽

Matrix Isolation ◽