Oxidation of Methanol to Formaldehyde Catalyzed by V2O5. A Density Functional Theory Study

P. Boulet; A. Baiker; H. Chermette; F. Gilardoni; J.-C. Volta; J. Weber

doi:10.1021/jp021080r

Oxidation of Methanol to Formaldehyde Catalyzed by V2O5. A Density Functional Theory Study

The Journal of Physical Chemistry B ◽

10.1021/jp021080r ◽

2002 ◽

Vol 106 (37) ◽

pp. 9659-9667 ◽

Cited By ~ 14

Author(s):

P. Boulet ◽

A. Baiker ◽

H. Chermette ◽

F. Gilardoni ◽

J.-C. Volta ◽

...

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Oxidation Of Methanol

Download Full-text

A Density Functional Theory Study of the Oxidation of Methanol to Formaldehyde over Vanadia Supported on Silica, Titania, and Zirconia

The Journal of Physical Chemistry B ◽

10.1021/jp014695h ◽

2002 ◽

Vol 106 (32) ◽

pp. 7832-7838 ◽

Cited By ~ 76

Author(s):

Rustam Z. Khaliullin ◽

Alexis T. Bell

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Oxidation Of Methanol

Download Full-text

Oxidation of Methanol to Formaldehyde on Silica-Supported Molybdena: Density Functional Theory Study on Models of Mononuclear Sites

The Journal of Physical Chemistry C ◽

10.1021/jp908609s ◽

2010 ◽

Vol 114 (7) ◽

pp. 2967-2979 ◽

Cited By ~ 34

Author(s):

Laurence J. Gregoriades ◽

Jens Döbler ◽

Joachim Sauer

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Oxidation Of Methanol

Download Full-text

Direct oxidation of methanol to formaldehyde by N2O on [Fe]1+ and [FeO]1+ sites in Fe–ZSM-5 zeolite: A density functional theory study

Journal of Catalysis ◽

10.1016/j.jcat.2011.06.012 ◽

2011 ◽

Vol 282 (1) ◽

pp. 191-200 ◽

Cited By ~ 21

Author(s):

Mehmet Ferdi Fellah

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Zeolite A ◽

Density Functional Theory Study ◽

Direct Oxidation ◽

Functional Theory ◽

Oxidation Of Methanol

Download Full-text

A density functional theory study of the oxidation of methanol to formaldehyde over vanadia supported on silica, titania and zirconia

Research on Chemical Intermediates ◽

10.1163/156856704322798115 ◽

2004 ◽

Vol 30 (1) ◽

pp. 133-141 ◽

Cited By ~ 11

Author(s):

N. U. Zhanpeisov

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Oxidation Of Methanol

Download Full-text

Total Oxidation of Methanol on Cu(110): A Density Functional Theory Study

The Journal of Physical Chemistry A ◽

10.1021/jp072773g ◽

2007 ◽

Vol 111 (36) ◽

pp. 8814-8822 ◽

Cited By ~ 65

Author(s):

Sung Sakong ◽

Axel Gross

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Total Oxidation ◽

Functional Theory ◽

Oxidation Of Methanol

Download Full-text

Density functional theory study of the oxidation of methanol to formaldehyde on a hydrated vanadia cluster

Journal of Computational Chemistry ◽

10.1002/jcc.21543 ◽

2010 ◽

pp. n/a-n/a ◽

Cited By ~ 2

Author(s):

P. González-Navarrete ◽

L. Gracia ◽

M. Calatayud ◽

J. AndréS

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Oxidation Of Methanol

Download Full-text

Density functional theory study of the partial oxidation of methanol on copper surfaces

Journal of Catalysis ◽

10.1016/j.jcat.2005.02.009 ◽

2005 ◽

Vol 231 (2) ◽

pp. 420-429 ◽

Cited By ~ 87

Author(s):

S SAKONG ◽

A GROS

Keyword(s):

Density Functional Theory ◽

Partial Oxidation ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Copper Surfaces ◽

Oxidation Of Methanol ◽

Partial Oxidation Of Methanol

Download Full-text

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 Theory ◽

Density Functional ◽

Matrix Isolation ◽

Density Functional Theory Study ◽

Functional Theory

Download Full-text

A Density Functional Theory Study of 2-Chlorothiophene Adsorption on Rh(111) Surface

CHINESE JOURNAL OF CATALYSIS (CHINESE VERSION) ◽

10.3724/sp.j.1088.2010.90513 ◽

2010 ◽

Vol 31 (1) ◽

pp. 49-55

Author(s):

Zhanhong CHEN ◽

Kaining DING ◽

Xianglan XU ◽

Junqian LI

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

Download Full-text

Density Functional Theory Study on the Relationship between Polymerization Activity and Substituent Electronic Effect of Polyolefin Catalysts

CHINESE JOURNAL OF CATALYSIS (CHINESE VERSION) ◽

10.3724/sp.j.1088.2010.00126 ◽

2010 ◽

Vol 31 (9) ◽

pp. 1127-1131

Author(s):

Huayi LI ◽

Liaoyun ZHANG ◽

Youliang HU

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Electronic Effect ◽

Density Functional Theory Study ◽

Functional Theory ◽

The Relationship

Download Full-text