Electrostatic potentials of strained systems: cubane, homocubane, and bishomocubane

Autor:	Peter Politzer, Linda N. Domelsmith, Lars Abrahmsen
Rok vydání:	1984
Předmět:	chemistry.chemical_classification chemistry.chemical_compound Hydrocarbon chemistry Cubane Computational chemistry Gaussian orbital General Engineering Physical and Theoretical Chemistry Ring strain
Zdroj:	The Journal of Physical Chemistry. 88:1752-1758
ISSN:	1541-5740 0022-3654
DOI:	10.1021/j150653a018
Popis:	Calculs ab initio SCF-MO (STO-3G, STO-5G). Association de potentiels negatifs aux liaisons tendues C−C. Rotation des liaisons C−H en s'eloignant des liaisons C−C adjacentes
Databáze:	OpenAIRE
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