Structure-stability relationships in unsaturated sulfur compounds VI. An ab initio study of the stable conformations of (E)- and (Z)-2-methylthio-, methylsulfinyl- and methylsulfonyl-2-butenes

1997 ◽  
Vol 418 (2-3) ◽  
pp. 189-196 ◽  
Author(s):  
Reijo Kimmelma ◽  
Matti Hotokka
Keyword(s):  
Ab Initio ◽  
Sulfur Compounds ◽  
Structure Stability ◽  
Ab Initio Study

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 amino-sulfur compounds

1990 ◽  
Vol 206 (3-4) ◽  
pp. 335-357 ◽  
Author(s):  
Michael Sabio ◽  
Sid Topiol
Keyword(s):  
Ab Initio ◽  
Sulfur Compounds ◽  
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
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