FTIR study of the CO adsorption over Pt/MFI catalysts: Ab initio interpretation

2006 ◽  
Vol 106 (10) ◽  
pp. 2281-2289 ◽  
Author(s):  
N. S. Nesterenko ◽  
A. V. Avdey ◽  
A. Yu Ermilov
Keyword(s):  
Ab Initio ◽  
Co Adsorption ◽  
Ftir Study

Acid-base properties and supramolecular structure ofN-[(hydroxymethyl)triazolyl]triflamides: DFT, ab initio, and FTIR study

2016 ◽  
Vol 30 (5) ◽  
pp. e3623 ◽  
Author(s):  
Bagrat A. Shainyan ◽  
Nina N. Chipanina ◽  
Larisa P. Oznobikhina ◽  
Vladimir I. Meshcheryakov
Keyword(s):  
Ab Initio ◽  
Supramolecular Structure ◽  
Acid Base ◽  
Ftir Study ◽  
Base Properties

FTIR Study of Low-Temperature CO Adsorption on Cu-ZSM-5: Evidence of the Formation of Cu2+(CO)2 Species

2000 ◽  
Vol 191 (2) ◽  
pp. 480-485 ◽  
Author(s):  
Konstantin Hadjiivanov ◽  
Helmut Knözinger
Keyword(s):  
Low Temperature ◽  
Co Adsorption ◽  
Ftir Study

Ab-initio calculation of C and CO adsorption on the Co (110) surface

2013 ◽  
Vol 608 ◽  
pp. 282-291 ◽  
Author(s):  
Shin-Liang Chin ◽  
Adrian Ionescu ◽  
Robert M. Reeve ◽  
Jun Cheng ◽  
Crispin H.W. Barnes
Keyword(s):  
Ab Initio ◽  
Ab Initio Calculation ◽  
Co Adsorption

Parallel between infrared characterisation and ab initio calculations of CO adsorption on sulphided Mo catalysts

2001 ◽  
Vol 70 (1-3) ◽  
pp. 255-269 ◽  
Author(s):  
A. Travert ◽  
C. Dujardin ◽  
F. Maugé ◽  
S. Cristol ◽  
J.F. Paul ◽  
...  
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Co Adsorption

FTIR Study of CO Adsorption on Ni−ZSM-5

2002 ◽  
Vol 106 (10) ◽  
pp. 2618-2624 ◽  
Author(s):  
K. Hadjiivanov ◽  
H. Knözinger ◽  
M. Mihaylov
Keyword(s):  
Co Adsorption ◽  
Ftir Study

scholarly journals CO adsorption on the GaPd(1̄1̄1̄) surface: a comparative DFT study using different functionals

2016 ◽  
Vol 18 (21) ◽  
pp. 14390-14400 ◽  
Author(s):  
S. Alarcón Villaseca ◽  
S. V. Levchenko ◽  
M. Armbrüster
Keyword(s):  
Electronic Structure ◽  
Intermetallic Compound ◽  
Ab Initio ◽  
Co Adsorption ◽  
Dft Study ◽  
Full Potential ◽  
Structure Approach

CO adsorption on the polar (1̄1̄1̄) surface of the intermetallic compound GaPd is examined withinab initiomethods using an all-electron full-potential electronic structure approach.

Brnsted acidity of extraframework debris in steamed Y zeolites from the FTIR study of CO adsorption

1998 ◽  
Vol 94 (19) ◽  
pp. 3039-3047 ◽  
Author(s):  
Olivier Cairon ◽  
The´rèse Chevreau ◽  
Jean-Claude Lavalley
Keyword(s):  
Co Adsorption ◽  
Y Zeolites ◽  
Ftir Study

1-Hexanol conformers in a nitrogen matrix: FTIR study and high-level ab initio calculations

2019 ◽  
Vol 278 ◽  
pp. 356-362 ◽  
Author(s):  
Yevhenii Vaskivskyi ◽  
Yelyzaveta Chernolevska ◽  
Antonina Vasylieva ◽  
Valeriy Pogorelov ◽  
Rasa Platakyte ◽  
...  
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Ftir Study ◽  
High Level
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