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

Infrared Spectroscopy ◽

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 ◽

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 ◽

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 ◽

An investigation into the photochemistry of, and the electrochemically induced CO-loss from, [(CO)5MC(OMe)Me](M = Cr or W) using low-temperature matrix isolation, picosecond infrared spectroscopy, cyclic voltammetry, and time-dependent density functional theory

Dalton Transactions ◽

10.1039/c5dt01568e ◽

2015 ◽

Vol 44 (35) ◽

pp. 15424-15434 ◽

Cited By ~ 11

Author(s):

Suzanne McMahon ◽

Saeed Amirjalayer ◽

Wybren J. Buma ◽

Yvonne Halpin ◽

Conor Long ◽

...

Keyword(s):

Cyclic Voltammetry ◽

Infrared Spectroscopy ◽

Low Temperature ◽

Density Functional ◽

Matrix Isolation ◽

Time Dependent ◽

Functional Theory ◽

Temperature Matrix ◽

Dependent Density

The photophysics and photochemistry of [(CO)5MC(OMe)Me] (M = Cr or W) were investigated.

Density functional theory study of the near edge X-ray absorption fine structure and infrared spectroscopy of acetylene and benzene on group IV semiconductor surfaces

Surface Science ◽

10.1016/j.susc.2008.10.043 ◽

2009 ◽

Vol 603 (1) ◽

pp. 158-164 ◽

Cited By ~ 10

Author(s):

Frans A. Asmuruf ◽

Nicholas A. Besley

Keyword(s):

Fine Structure ◽

Infrared Spectroscopy ◽

Density Functional ◽

Group Iv ◽

Functional Theory ◽

X Ray ◽

Group Iv Semiconductor ◽

X Ray Absorption

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

Conformations of nitro-substituted spiropyran and merocyanine studied by low-temperature matrix-isolation infrared spectroscopy and density-functional-theory calculation

Chemical Physics Letters ◽

10.1016/s0009-2614(03)00136-2 ◽

2003 ◽

Vol 370 (3-4) ◽

pp. 460-468 ◽

Cited By ~ 58

Author(s):

Yoshisuke Futami ◽

Maisy Lim Siaw Chin ◽

Satoshi Kudoh ◽

Masao Takayanagi ◽

Munetaka Nakata

Keyword(s):

Infrared Spectroscopy ◽

Low Temperature ◽

Density Functional ◽

Density Functional Theory Calculation ◽

Matrix Isolation ◽

Functional Theory ◽

Temperature Matrix ◽

Theory Calculation

The effect of cooperative hydrogen bonding on the OH stretching-band shift for water clusters studied by matrix-isolation infrared spectroscopy and density functional theory

Physical Chemistry Chemical Physics ◽

10.1039/b506641g ◽

2005 ◽

Vol 7 (16) ◽

pp. 3005 ◽

Cited By ~ 158

Author(s):

Keiichi Ohno ◽

Mari Okimura ◽

Nobuyuki Akai ◽

Yukiteru Katsumoto

Keyword(s):

Hydrogen Bonding ◽

Infrared Spectroscopy ◽

Density Functional ◽

Water Clusters ◽

Matrix Isolation ◽

Band Shift ◽

Functional Theory ◽

Cooperative Hydrogen Bonding

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