Matrix Isolation Infrared Spectroscopic Studies and Density Functional Theory Calculations of the MNN, (MN)2(M = Y and La), and Y3NN Molecules

Yun-Lei Teng; Qiang Xu

doi:10.1021/jp8003568

Matrix Isolation Infrared Spectroscopic Studies and Density Functional Theory Calculations of the MNN, (MN)2(M = Y and La), and Y3NN Molecules

The Journal of Physical Chemistry A ◽

10.1021/jp8003568 ◽

2008 ◽

Vol 112 (16) ◽

pp. 3607-3613 ◽

Cited By ~ 6

Author(s):

Yun-Lei Teng ◽

Qiang Xu

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Matrix Isolation ◽

Density Functional Theory Calculations ◽

Spectroscopic Studies ◽

Functional Theory ◽

Infrared Spectroscopic

Download Full-text

Vibrational and UV spectroscopic studies of 2-coumaranone by experimental and density functional theory calculations

Journal of Molecular Structure ◽

10.1016/j.molstruc.2017.05.033 ◽

2017 ◽

Vol 1144 ◽

pp. 535-544

Author(s):

Y. Sushma Priya ◽

K. Ramachandra Rao ◽

P.V. Chalapathi ◽

M. Satyavani ◽

A. Veeraiah

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Spectroscopic Studies ◽

Functional Theory

Download Full-text

Spectroscopic studies, Density Functional Theory calculations, and non‐linear optical properties of binuclear Fe( III ), Co( II ), Ni( II ), Cu( II ), and Zn( II ) complexes of OONN Schiff base ligand

Journal of the Chinese Chemical Society ◽

10.1002/jccs.202000024 ◽

2020 ◽

Vol 67 (10) ◽

pp. 1783-1793

Author(s):

Hussein Moustafa ◽

Gehad G. Mohamed ◽

Salwa Elramly

Keyword(s):

Density Functional Theory ◽

Optical Properties ◽

Schiff Base ◽

Schiff Base Ligand ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Spectroscopic Studies ◽

Functional Theory ◽

Non Linear ◽

Linear Optical Properties

Download Full-text

Overtones of νC≡N Vibration as a Probe of Structure of Liquid CH3CN, CD3CN, and CCl3CN: Combined Infrared, Near-Infrared, and Raman Spectroscopic Studies with Anharmonic Density Functional Theory Calculations

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.9b02170 ◽

2019 ◽

Vol 123 (20) ◽

pp. 4431-4442 ◽

Cited By ~ 10

Author(s):

Krzysztof Bernard Beć ◽

Daniel Karczmit ◽

Michał Kwaśniewicz ◽

Yukihiro Ozaki ◽

Mirosław Antoni Czarnecki

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Near Infrared ◽

Density Functional Theory Calculations ◽

Spectroscopic Studies ◽

Functional Theory ◽

Raman Spectroscopic ◽

Structure Of Liquid

Download Full-text

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

ChemInform ◽

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

Download Full-text

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):

Density Functional Theory ◽

Carbon Monoxide ◽

Density Functional ◽

Matrix Isolation ◽

Density Functional Theory Study ◽

Functional Theory ◽

Metal Atoms ◽

Infrared Spectroscopic ◽

Oxidation Of Carbon Monoxide

Download Full-text

Dynamics of Molecules and Clusters Studied by Low-Temperature Matrix-Isolation Infrared Spectroscopy and Density-Functional-Theory Calculations

Bulletin of the Chemical Society of Japan ◽

10.1246/bcsj.75.1173 ◽

2002 ◽

Vol 75 (6) ◽

pp. 1173-1189 ◽

Cited By ~ 4

Author(s):

Munetaka Nakata

Keyword(s):

Density Functional Theory ◽

Infrared Spectroscopy ◽

Low Temperature ◽

Density Functional ◽

Matrix Isolation ◽

Density Functional Theory Calculations ◽

Functional Theory ◽

Temperature Matrix

Download Full-text

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 ◽

Cited By ~ 1

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

Download Full-text

Recent trends in experimental and theoretical investigations of chemisorptions on metal-electrolyte interface. I. In situ spectroscopic studies and the density functional theory calculations

Protection of Metals and Physical Chemistry of Surfaces ◽

10.1134/s2070205109010018 ◽

2009 ◽

Vol 45 (1) ◽

pp. 1-18 ◽

Cited By ~ 4

Author(s):

V. A. Marichev

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Spectroscopic Studies ◽

Functional Theory ◽

Electrolyte Interface ◽

The Density Functional Theory ◽

Theoretical Investigations ◽

Recent Trends

Download Full-text

Matrix Isolation Infrared Spectroscopic and Density Functional Theory Studies on the Reactions of Yttrium and Lanthanum Hydrides with Carbon Monoxide

The Journal of Physical Chemistry A ◽

10.1021/jp076053l ◽

2007 ◽

Vol 111 (51) ◽

pp. 13380-13386 ◽

Cited By ~ 1

Author(s):

Yun-Lei Teng ◽

Qiang Xu

Keyword(s):

Density Functional Theory ◽

Carbon Monoxide ◽

Density Functional ◽

Matrix Isolation ◽

Functional Theory ◽

Infrared Spectroscopic

Download Full-text

Vibrational Spectroscopic Studies and Density Functional Theory Calculations of Speciation in the CO2—Water System

Applied Spectroscopy ◽

10.1366/000370206776023421 ◽

2006 ◽

Vol 60 (2) ◽

pp. 130-144 ◽

Cited By ~ 81

Author(s):

Wolfram W. Rudolph ◽

Dieter Fischer ◽

Gert Irmer

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Water System ◽

Density Functional Theory Calculations ◽

Spectroscopic Studies ◽

Functional Theory

Download Full-text