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Ab initio study of helium dimer

✍ Scribed by Roberto Specchio; Antonino Famulari; Mario Raimondi

Book ID
114141589
Publisher
Elsevier Science
Year
2001
Tongue
English
Weight
96 KB
Volume
549
Category
Article
ISSN
0166-1280

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πŸ“œ SIMILAR VOLUMES

Ab initio molecular orbital study of dim
Ab initio molecular orbital study of dimer CHF3
✍ Anthony Popowicz; Takanobu Ishida πŸ“‚ Article πŸ“… 1981 πŸ› Elsevier Science 🌐 English βš– 413 KB

Various dlmer configurations of iluoroform have been mdied by means of the GAUSSIAN-70 &on&n usmg the rnmlmal STO-3G basis set The largest dunenzation energy, 0 68 kul/mol. occurs in an end-to-end bnear geometry wth a H...F distance. of 2 3 A and the electron donor molecule tilted at 45O with respec