Density Functional Theory Study of Carboxylic Acids Adsorption and Enolization on Monoclinic Zirconia Surfaces

2011 ◽  
Vol 115 (32) ◽  
pp. 16012-16018 ◽  
Author(s):  
Alexey V. Ignatchenko
Keyword(s):  
Density Functional Theory ◽  
Carboxylic Acids ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Monoclinic Zirconia ◽  
Functional Theory

Density Functional Theory Study on the Interactions of Metal Ions with Long Chain Deprotonated Carboxylic Acids

2015 ◽  
Vol 119 (40) ◽  
pp. 10195-10203 ◽  
Author(s):  
Aleksandar Y. Mehandzhiyski ◽  
Enrico Riccardi ◽  
Titus S. van Erp ◽  
Henrik Koch ◽  
Per-Olof Åstrand ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Metal Ions ◽  
Carboxylic Acids ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Long Chain

scholarly journals Density Functional Theory Study of the Oligomerization of Carboxylic Acids

2014 ◽  
Vol 118 (46) ◽  
pp. 11098-11113 ◽  
Author(s):  
Devis Di Tommaso ◽  
Ken L. Watson
Keyword(s):  
Density Functional Theory ◽  
Carboxylic Acids ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Functional Theory

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

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

Structural Stability of Ruthenium Nanoparticles: A Density Functional Theory Study

2017 ◽  
Vol 121 (49) ◽  
pp. 27445-27452 ◽  
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

2013 ◽  
Vol 26 (1) ◽  
pp. 35-42 ◽  
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

Density Functional Theory Study on Raman Spectra of Rhodamine Molecules in Different Forms

2014 ◽  
Vol 27 (3) ◽  
pp. 291-296 ◽  
Author(s):  
Yong Ma ◽  
Wei Hu ◽  
Xiu-neng Song ◽  
Chuan-kui Wang
Keyword(s):  
Density Functional Theory ◽  
Raman Spectra ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Functional Theory
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