Large molecules - Small energies: Challenges for contemporary quantum chemistry

Synlett

Volumn , Issue 10, 2010, Pages 1431-1441

  Schwabe, Tobias ^a   Huenerbein, Robert ^a   Grimme, Stefan ^a  

^a UNIVERSITY OF MÜNSTER   (Germany)

Author keywords

Computational chemistry; Conformers; Enantioselectivity; Fullerenes; Theoretical methods

Indexed keywords

5 BENZYLIMIDAZOLIDIN 4 ONE; ALKANE; CARBAMIC ACID; DIBENZOCYCLIC[3.2.2]NONANE; FULLERENE; IMIDAZOLIDINE DERIVATIVE; NONANE; UNCLASSIFIED DRUG;

CHEMICAL INTERACTION; CHEMICAL STRUCTURE; COMPLEX FORMATION; ENANTIOSELECTIVITY; ENCAPSULATION; ENERGY; ISOMERIZATION; MATHEMATICAL ANALYSIS; MOLECULAR STABILITY; MOLECULE; ORGANIC CHEMISTRY; QUANTUM CHEMISTRY; QUANTUM MECHANICS; REVIEW;

EID: 77953247408     PISSN: 09365214     EISSN: 14372096     Source Type: Journal    
DOI: 10.1055/s-0029-1219930     Document Type: Review

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