Quantitative structure-stability relationship for potassium ion complexation by crown ethers. A molecular mechanics and ab initio study

1993 ◽  
Vol 115 (24) ◽  
pp. 11158-11164 ◽  
Author(s):  
Benjamin P. Hay ◽  
Jim R. Rustad ◽  
Charles J. Hostetler
Keyword(s):  
Ab Initio ◽  
Molecular Mechanics ◽  
Crown Ethers ◽  
Potassium Ion ◽  
Structure Stability ◽  
Quantitative Structure ◽  
Ab Initio Study ◽  
Ion Complexation

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

Molecular Mechanics and ab Initio Conformational Analysis of 12-Membered and 14-Membered Tetrathia-Crown Ethers

2001 ◽  
Vol 105 (50) ◽  
pp. 11266-11275 ◽  
Author(s):  
Patrick Bultinck ◽  
Annelies Huyghebaert ◽  
Christian Van Alsenoy ◽  
Andre Goeminne
Keyword(s):  
Conformational Analysis ◽  
Ab Initio ◽  
Molecular Mechanics ◽  
Crown Ethers

A comparative molecular mechanics, semiempirical and ab initio study of saturated five-membered rings

1994 ◽  
Vol 303 ◽  
pp. 205-212 ◽  
Author(s):  
J.A. Dobado ◽  
J.Molina Molina ◽  
M.Rodríguez Espinosa
Keyword(s):  
Ab Initio ◽  
Molecular Mechanics ◽  
Ab Initio Study

Ab Initio Study of Proton Affinities of Three Crown Ethers

1996 ◽  
Vol 100 (18) ◽  
pp. 7367-7371 ◽  
Author(s):  
Hiroaki Wasada ◽  
Yuko Tsutsui ◽  
Shinichi Yamabe
Keyword(s):  
Ab Initio ◽  
Crown Ethers ◽  
Ab Initio Study ◽  
Proton Affinities

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
Sign in / Sign up

Export Citation Format

Share Document