Mean polarizabilities of organic molecules. A comparison of restricted Hartree Fock, density functional theory and direct reaction field results

Jazyk:	Dutch; Flemish
Rok vydání:	1999
Předmět:	polarizabilities POLYATOMIC-MOLECULES MODEL POLARIZED BASIS-SETS SOLVATION molecular modeling CORRECT ASYMPTOTIC-BEHAVIOR DIELS-ALDER REACTIONS DIPOLE INTERACTION density functional theory ELECTRIC PROPERTIES FREQUENCY-DEPENDENT POLARIZABILITIES LEVEL-CORRELATED CALCULATIONS
Zdroj:	Theochem-Journal of molecular structure. 458(1-2):11-17
ISSN:	0166-1280
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=dris___01423::05e2d4c00a42296c2bd5c6fa014142b7 https://research.rug.nl/en/publications/5a470749-dfc7-463a-9d52-104b46abba79 Zobrazit plný text záznamu Full Text from ScienceDirect