Matrix Isolation Infrared Spectroscopic and Density Functional Theory Study of the 1:1 Complex of Bromocyclohexane with NH3: Evidence for a Weak C–H–N Hydrogen Bond

Spectroscopy Letters ◽

10.1080/00387010802132409 ◽

2008 ◽

Vol 41 (4) ◽

pp. 179-188 ◽

Author(s):

Kyle R. Hess ◽

Cindy Samet

Keyword(s):

Density Functional Theory ◽

Hydrogen Bond ◽

Density Functional ◽

Matrix Isolation ◽

Density Functional Theory Study ◽

Functional Theory ◽

Infrared Spectroscopic

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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 ◽

Author(s):

Qiang Xu ◽

Ling Jiang

Keyword(s):

Density Functional Theory ◽

Carbon Monoxide ◽

Density Functional ◽

Matrix Isolation ◽

Density Functional Theory Study ◽

Functional Theory ◽

Metal Atoms ◽

Infrared Spectroscopic ◽

Oxidation Of Carbon Monoxide

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

Molecular Physics ◽

10.1080/002689799165107 ◽

1999 ◽

Vol 96 (6) ◽

pp. 993-1000 ◽

Author(s):

PAUL H. KASAI

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Matrix Isolation ◽

Density Functional Theory Study ◽

Functional Theory

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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 ◽

Author(s):

A. Kaczor ◽

I. D. Reva ◽

L. M. Proniewicz ◽

R. Fausto

Keyword(s):

Density Functional Theory ◽

Infrared Spectroscopy ◽

Density Functional ◽

Conformational Equilibrium ◽

Matrix Isolation ◽

Density Functional Theory Study ◽

Functional Theory

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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 ◽

Author(s):

Tetyana Stepanenko ◽

Leszek Lapinski ◽

Maciej J Nowak ◽

Ludwik Adamowicz

Keyword(s):

Density Functional Theory ◽

Infrared Spectra ◽

Density Functional ◽

Matrix Isolation ◽

Theoretical Density ◽

Density Functional Theory Study ◽

Functional Theory

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Elucidation of the active surface and origin of the weak metal–hydrogen bond on Ni/Pt(111) bimetallic surfaces: a surface science and density functional theory study

Surface Science ◽

10.1016/j.susc.2003.09.007 ◽

2003 ◽

Vol 544 (2-3) ◽

pp. 295-308 ◽

Author(s):

John R Kitchin ◽

Neetha A Khan ◽

Mark A Barteau ◽

Jingguang G Chen ◽

Boris Yakshinskiy ◽

...

Keyword(s):

Density Functional Theory ◽

Hydrogen Bond ◽

Surface Science ◽

Density Functional ◽

Active Surface ◽

Density Functional Theory Study ◽

Functional Theory ◽

Bimetallic Surfaces

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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 ◽

Author(s):

Bethany L. Subel ◽

David A. Kayser ◽

Bruce S. Ault

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Matrix Isolation ◽

Density Functional Theory Study ◽

Functional Theory

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ChemInform Abstract: Matrix-Isolation Infrared Spectroscopic and Density Functional Theory Studies on Reactions of Laser-Ablated Lead and Tin Atoms with Water Molecules.

10.1002/chin.200803002 ◽

2008 ◽

Vol 39 (3) ◽

Author(s):

Yun-Lei Teng ◽

Ling Jiang ◽

Song Han ◽

Qiang Xu

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Matrix Isolation ◽

Water Molecules ◽

Functional Theory ◽

Infrared Spectroscopic

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Excited-state N–H⋯S hydrogen bond between indole and dimethyl sulfide: time-dependent density functional theory study

Physical Chemistry Chemical Physics ◽

10.1039/c1cp20729f ◽

2011 ◽

Vol 13 (33) ◽

pp. 15299 ◽

Author(s):

Yufang Liu ◽

Yonggang Yang ◽

Kai Jiang ◽

Deheng Shi ◽

Jinfeng Sun

Keyword(s):

Density Functional Theory ◽

Hydrogen Bond ◽

Excited State ◽

Density Functional ◽

Dimethyl Sulfide ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

Dependent Density

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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 ◽

Author(s):

Leszek Lapinski ◽

Maciej J. Nowak ◽

Robert Kołos ◽

Józef S. Kwiatkowski ◽

Jerzy Leszczyński

Keyword(s):

Density Functional Theory ◽

Ab Initio ◽

Density Functional ◽

Matrix Isolation ◽

Density Functional Theory Study ◽

Functional Theory ◽

Hartree Fock ◽

Spectroscopic Identification

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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 ◽

Author(s):

Travis D. Fridgen ◽

J. Mark Parnis

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Matrix Isolation ◽

Rare Gas ◽

Density Functional Theory Study ◽

Functional Theory ◽

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