On the effect of basis set quality on the description of transition structures: the π attack of CH3+ to C2H2
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry
Reference14 articles.
1. Unfavourable orbital overlap at the transition state of a symmetry allowed reaction: a theoretical analysis
2. Basis Sets in Computational Chemistry: Structure, Interactions and Reactivity;Sordo,1992
3. On the quality of basis sets
4. ANACAL: a program to carry out a configurational analysis of the wave function of reactive systems
5. A General Program for Calculations of Atomic SCF Orbitals by the Expansion Method, Special IBM Tech-nical Report;Roos,1968
Cited by 3 articles. 订阅此论文施引文献 订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献
1. Using fuzzy set theory to assess basis set quality;Chemical Physics Letters;1999-03
2. QUALITY: A program to assess basis set quality;Computer Physics Communications;1998-09
3. Ab initio study of the formation of C3H3+ from the reaction of CH3+ with acetylene;Journal of Computational Chemistry;1996-05
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