An ab initio study of structure, stability, and spectroscopic parameters of 5-atomic [C, C, H, N, S] isomers

2015 ◽  
Vol 1090 ◽  
pp. 76-85 ◽  
Author(s):  
Marcin Gronowski ◽  
Robert Kołos
Keyword(s):  
Ab Initio ◽  
Structure Stability ◽  
Ab Initio Study ◽  
Spectroscopic Parameters

Ab - initio study of alloying effects on structure stability and mechanical properties of α-Nb 5 Si 3

2015 ◽  
Vol 108 ◽  
pp. 121-127 ◽  
Author(s):  
Songxin Shi ◽  
Linggang Zhu ◽  
Lina Jia ◽  
Hu Zhang ◽  
Zhimei Sun
Keyword(s):  
Mechanical Properties ◽  
Ab Initio ◽  
Structure Stability ◽  
Ab Initio Study ◽  
Alloying Effects

Structure, Stability, and Bonding of BC2N:  An ab Initio Study

1998 ◽  
Vol 102 (49) ◽  
pp. 10134-10141 ◽  
Author(s):  
Tapas Kar ◽  
Martin Čuma ◽  
Steve Scheiner
Keyword(s):  
Ab Initio ◽  
Structure Stability ◽  
Ab Initio Study

An ab initio study of niobium ( n = 2–11) clusters: structure, stability and magnetism

2009 ◽  
Vol 18 (4) ◽  
pp. 1491-1497 ◽  
Author(s):  
Ren Feng-Zhu ◽  
Wang Yuan-Xu ◽  
Zhang Guang-Biao ◽  
Wei Shu-Ke ◽  
Luo You-Hua
Keyword(s):  
Ab Initio ◽  
Structure Stability ◽  
Ab Initio Study

Ab initio study of structure, stability and ionization potentials of the anions PF−6 and P2F−11

1990 ◽  
Vol 173 (2-3) ◽  
pp. 151-156 ◽  
Author(s):  
Christoph Kölmel ◽  
Gottfried Palm ◽  
Reinhart Ahlrichs ◽  
Michael Bär ◽  
Alexander I. Boldyrev
Keyword(s):  
Ab Initio ◽  
Ionization Potentials ◽  
Structure Stability ◽  
Ab Initio Study

Structure, stability and bonding of (BC 2 N) n , n =2,3: an ab initio study

2000 ◽  
Vol 556 (1-3) ◽  
pp. 275-281 ◽  
Author(s):  
T. Kar ◽  
M. Cuma ◽  
S. Scheiner
Keyword(s):  
Ab Initio ◽  
Structure Stability ◽  
Ab Initio Study

scholarly journals Structure, Stability and Electronic Properties of Thin TiO2 Nanowires of Different Novel Shapes: An Ab- initio Study

2019 ◽  
Vol 0 (0) ◽  
pp. 0-0 ◽  
Author(s):  
Debashish Dash ◽  
Chandan K Pandey ◽  
Saurabh Chaudhury ◽  
Susanta Tripathy
Keyword(s):  
Ab Initio ◽  
Electronic Properties ◽  
Structure Stability ◽  
Ab Initio Study ◽  
Tio2 Nanowires
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