Ab initio, DFT vibrational calculations and SERRS study of Rhodamine 123 adsorbed on colloidal silver particles

2006 ◽  
Vol 41 (1) ◽  
pp. 90-96 ◽  
Author(s):  
Jyotirmoy Sarkar ◽  
Joydeep Chowdhury ◽  
Prabir Pal ◽  
G.B. Talapatra
Keyword(s):  
Ab Initio ◽  
Rhodamine 123 ◽  
Colloidal Silver ◽  
Silver Particles ◽  
Ab Initio Dft

scholarly journals Ab initio DFT study of ideal shear strength of polytypes of silicon carbide

2008 ◽  
Vol 40 (1) ◽  
pp. 2-6 ◽  
Author(s):  
Y. Umeno ◽  
Y. Kinoshita ◽  
T. Kitamura
Keyword(s):  
Silicon Carbide ◽  
Shear Strength ◽  
Ab Initio ◽  
Dft Study ◽  
Ab Initio Dft

Homopairing Possibilities of the DNA Bases Cytosine and Guanine:  An ab Initio DFT Study

2005 ◽  
Vol 109 (46) ◽  
pp. 22045-22052 ◽  
Author(s):  
R. E. A. Kelly ◽  
Y. J. Lee ◽  
L. N. Kantorovich
Keyword(s):  
Ab Initio ◽  
Dna Bases ◽  
Dft Study ◽  
Ab Initio Dft

Experimental deduction of In/Si(111) 2D phase diagram and ab initio DFT modeling of 2√3 phase

2009 ◽  
Vol 256 (2) ◽  
pp. 348-352 ◽  
Author(s):  
K. Jithesh ◽  
Govind ◽  
U.V. Waghmare ◽  
S.M. Shivaprasad
Keyword(s):  
Phase Diagram ◽  
Ab Initio ◽  
Dft Modeling ◽  
Ab Initio Dft

Zinc based chalcogenides ZnMn2X4 (X = S, Se, Te) as promising spintronic and sustainable energy materials: Ab-initio DFT investigations

2020 ◽  
pp. 157198
Author(s):  
N.A. Noor ◽  
M. Rashid ◽  
Ghulam M. Mustafa ◽  
Asif Mahmood ◽  
Waheed Al-Masry ◽  
...  
Keyword(s):  
Ab Initio ◽  
Sustainable Energy ◽  
Energy Materials ◽  
Ab Initio Dft
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