Ultraviolet–visible absorption, Raman, vibration spectra of pure silver and Ag–Cu clusters: A density functional theory study

Physica B Condensed Matter ◽

10.1016/j.physb.2014.06.017 ◽

2014 ◽

Vol 451 ◽

pp. 96-105 ◽

Cited By ~ 7

Author(s):

Weiyin Li ◽

Fuyi Chen

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Pure Silver ◽

Visible Absorption ◽

Functional Theory ◽

Vibration Spectra

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Density functional theory study on the molecular structure and vibration spectra of fenbufen

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2012.09.034 ◽

2013 ◽

Vol 101 ◽

pp. 119-126 ◽

Cited By ~ 1

Author(s):

Yue Yang ◽

Hongwei Gao

Keyword(s):

Molecular Structure ◽

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Vibration Spectra

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The origin of the unusual broad and intense visible absorption of tetrathiafulvalene-annulated zinc porphyrazine: A density functional theory study

Journal of Molecular Graphics and Modelling ◽

10.1016/j.jmgm.2011.10.008 ◽

2012 ◽

Vol 33 ◽

pp. 26-34 ◽

Cited By ~ 4

Author(s):

Wei Tao ◽

Yu-He Kan ◽

Shui-Xing Wu ◽

Hai-Bin Li ◽

Li-Kai Yan ◽

...

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Visible Absorption ◽

Functional Theory

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Structure effect on transition mechanism of UV–visible absorption spectrum in polyimides: A density functional theory study

Polymer ◽

10.1016/j.polymer.2018.06.049 ◽

2018 ◽

Vol 148 ◽

pp. 356-369 ◽

Cited By ~ 5

Author(s):

Yanping Ma ◽

Chenchen Hu ◽

Hongxia Guo ◽

Lin Fan ◽

Shiyong Yang ◽

...

Keyword(s):

Density Functional Theory ◽

Absorption Spectrum ◽

Density Functional ◽

Structure Effect ◽

Visible Absorption Spectrum ◽

Density Functional Theory Study ◽

Visible Absorption ◽

Functional Theory ◽

Transition Mechanism ◽

Uv Visible

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UV−Visible Absorption Spectra of Small Platinum Carbonyl Complexes and Particles: A Density Functional Theory Study

The Journal of Physical Chemistry A ◽

10.1021/jp912117q ◽

2010 ◽

Vol 114 (23) ◽

pp. 6451-6462 ◽

Cited By ~ 16

Author(s):

Franck Rabilloud ◽

Moussab Harb ◽

Hameth Ndome ◽

Pierre Archirel

Keyword(s):

Density Functional Theory ◽

Absorption Spectra ◽

Density Functional ◽

Carbonyl Complexes ◽

Density Functional Theory Study ◽

Visible Absorption ◽

Functional Theory ◽

Uv Visible

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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

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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

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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

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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

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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

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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

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