scholarly journals Structures and Electronic Spectra of CdSe−Cys Complexes: Density Functional Theory Study of a Simple Peptide-Coated Nanocluster

2009 ◽  
Vol 113 (1) ◽  
pp. 292-301 ◽  
Author(s):  
Sang-Yoon Chung ◽  
Sungyul Lee ◽  
Christopher Liu ◽  
Daniel Neuhauser
Keyword(s):  
Density Functional Theory ◽  
Electronic Spectra ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Functional Theory

scholarly journals Effects of Bioconjugation on the Structures and Electronic Spectra of CdSe: Density Functional Theory Study of CdSe−Adenine Complexes

2010 ◽  
Vol 114 (1) ◽  
pp. 471-479 ◽  
Author(s):  
Ho-Sung Kim ◽  
Sung-Woo Jang ◽  
Sang-Yoon Chung ◽  
Sungyul Lee ◽  
Yonghoon Lee ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Electronic Spectra ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Functional Theory

Relativistic Density Functional Theory Study on the 139La Chemical Shifts and Electronic Spectra of La2 @ C72

2009 ◽  
Vol 6 (2) ◽  
pp. 434-438 ◽  
Author(s):  
Peng Jin ◽  
Weihong Mi ◽  
Ce Hao ◽  
Shenmin Li ◽  
Zhanxian Gao
Keyword(s):  
Density Functional Theory ◽  
Electronic Spectra ◽  
Density Functional ◽  
Chemical Shifts ◽  
Density Functional Theory Study ◽  
Functional Theory

Density functional theory study on lactides: Geometries, IR, NMR and electronic spectra

2007 ◽  
Vol 816 (1-3) ◽  
pp. 13-19 ◽  
Author(s):  
Wenpeng Wu ◽  
Wenbin Li ◽  
Lianbin Wang ◽  
Puyu Zhang ◽  
Jinglai Zhang
Keyword(s):  
Density Functional Theory ◽  
Electronic Spectra ◽  
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
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