Density Functional Theory Study of Small Vanadium Oxide Clusters†

Elena Jakubikova; Anthony K. Rappé; Elliot R. Bernstein

doi:10.1021/jp0745844

Density Functional Theory Study of Small Vanadium Oxide Clusters†

The Journal of Physical Chemistry A ◽

10.1021/jp0745844 ◽

2007 ◽

Vol 111 (50) ◽

pp. 12938-12943 ◽

Cited By ~ 50

Author(s):

Elena Jakubikova ◽

Anthony K. Rappé ◽

Elliot R. Bernstein

Keyword(s):

Density Functional Theory ◽

Vanadium Oxide ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Vanadium Oxide Clusters

Reactions of Sulfur Dioxide with Neutral Vanadium Oxide Clusters in the Gas Phase. I. Density Functional Theory Study†

The Journal of Physical Chemistry A ◽

10.1021/jp076439w ◽

2007 ◽

Vol 111 (51) ◽

pp. 13339-13346 ◽

Cited By ~ 27

Author(s):

Elena Jakubikova ◽

Elliot R. Bernstein

Keyword(s):

Density Functional Theory ◽

Sulfur Dioxide ◽

Phase I ◽

Vanadium Oxide ◽

Gas Phase ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Vanadium Oxide Clusters

Density-functional theory studies of vanadium oxide clusters and their cations

Theoretical Chemistry Accounts ◽

10.1007/s00214-021-02804-2 ◽

2021 ◽

Vol 140 (9) ◽

Author(s):

Philippe Archambault ◽

Yin Wei ◽

Gilles H. Peslherbe

Keyword(s):

Density Functional Theory ◽

Vanadium Oxide ◽

Density Functional ◽

Functional Theory ◽

Vanadium Oxide Clusters

Stability and migration barriers of small vanadium oxide clusters on the CeO2(111) surface studied by density functional theory

Faraday Discussions ◽

10.1039/c3fd00012e ◽

2013 ◽

Vol 162 ◽

pp. 233 ◽

Cited By ~ 20

Author(s):

Joachim Paier ◽

Thomas Kropp ◽

Christopher Penschke ◽

Joachim Sauer

Keyword(s):

Density Functional Theory ◽

Vanadium Oxide ◽

Density Functional ◽

Functional Theory ◽

Migration Barriers ◽

And Migration ◽

Vanadium Oxide Clusters

Oxygen Release from Cationic Niobium–Vanadium Oxide Clusters, NbnVmOk+, Revealed by Gas Phase Thermal Desorption Spectrometry and Density Functional Theory Calculations

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.7b01961 ◽

2017 ◽

Vol 121 (20) ◽

pp. 3864-3870 ◽

Cited By ~ 3

Author(s):

Daigo Masuzaki ◽

Toshiaki Nagata ◽

Fumitaka Mafuné

Keyword(s):

Density Functional Theory ◽

Vanadium Oxide ◽

Gas Phase ◽

Thermal Desorption ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Oxygen Release ◽

Functional Theory ◽

Thermal Desorption Spectrometry ◽

Vanadium Oxide Clusters

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

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

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

Density Functional Theory Study of the Gas Phase and Surface Reaction Kinetics for the MOVPE Growth of GaAs1–yBiy

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.9b10399 ◽

2020 ◽

Vol 124 (9) ◽

pp. 1682-1697

Author(s):

Ryan C. Lucas ◽

Dane Morgan ◽

Thomas F. Kuech

Keyword(s):

Density Functional Theory ◽

Reaction Kinetics ◽

Gas Phase ◽

Density Functional ◽

Surface Reaction ◽

Density Functional Theory Study ◽

Functional Theory ◽

Movpe Growth ◽

Surface Reaction Kinetics

Structural Stability of Ruthenium Nanoparticles: A Density Functional Theory Study

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.7b08672 ◽

2017 ◽

Vol 121 (49) ◽

pp. 27445-27452 ◽

Cited By ~ 21

Author(s):

Yusuke Nanba ◽

Takayoshi Ishimoto ◽

Michihisa Koyama

Keyword(s):

Density Functional Theory ◽

Structural Stability ◽

Density Functional ◽

Density Functional Theory Study ◽

Ruthenium Nanoparticles ◽

Functional Theory

Density Functional Theory Study on Electronic and Magnetic Properties of Mn‐Doped (MgO)n (n=2–10) Clusters

Chinese Journal of Chemical Physics ◽

10.1063/1674-0068/26/01/35-42 ◽

2013 ◽

Vol 26 (1) ◽

pp. 35-42 ◽

Cited By ~ 10

Author(s):

Peng Wang ◽

Ming‐xia Yang ◽

Sheng‐li Zhang ◽

Shi‐ping Huang ◽

Hui‐ping Tian

Keyword(s):

Density Functional Theory ◽

Magnetic Properties ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Electronic And Magnetic Properties ◽

Mn Doped