CO2Coordination to Nickel Atoms:  Matrix Isolation and Density Functional Studies

1997 ◽  
Vol 101 (14) ◽  
pp. 2626-2633 ◽  
Author(s):  
F. Galan ◽  
M. Fouassier ◽  
M. Tranquille ◽  
J. Mascetti ◽  
I. Pápai
Keyword(s):  
Density Functional ◽  
Matrix Isolation ◽  
Functional Studies

scholarly journals Combined FTIR Matrix Isolation and Density Functional Studies of Indole-3-Pyruvic Acid Molecule. Spectroscopic Evidence of Gas-Phase Tautomerism

2012 ◽  
Vol 2012 ◽  
pp. 1-11
Author(s):  
Luigi Bencivenni ◽  
Andrea Margonelli ◽  
Alessandro Mariani ◽  
Andrea Pieretti ◽  
Stella Nunziante Cesaro
Keyword(s):  
Vibrational Spectrum ◽  
Gas Phase ◽  
Pyruvic Acid ◽  
Density Functional Calculations ◽  
Spectroscopic Data ◽  
Density Functional ◽  
Matrix Isolation ◽  
Vapour Phase ◽  
Acid Molecule ◽  
Functional Studies

The vibrational spectrum of matrix-isolated indole-3-pyruvic acid has been studied aiming to obtain information about the structures of the stable vapour-phase forms of the molecule. Together with results from theoretical density functional calculations, the spectroscopic data enable to undertake an attribution for most of the observed bands. The FTIR spectrum of crystalline indole-3-pyruvic acid has been compared with that of matrix isolation study.

Activation of CO2 by Zr atom. Matrix-isolation FTIR spectroscopy and density functional studies

2000 ◽  
Vol 254 (2-3) ◽  
pp. 231-238 ◽  
Author(s):  
Luning Zhang ◽  
Xuefeng Wang ◽  
Mohua Chen ◽  
Qi-Zong Qin
Keyword(s):  
Ftir Spectroscopy ◽  
Density Functional ◽  
Matrix Isolation ◽  
Functional Studies
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