✦ LIBER ✦

H-bond contribution to the Compton profile of water

✍ Scribed by A. Seth; E.J. Baerends

Publisher: Elsevier Science
Year: 1977
Tongue: English
Weight: 293 KB
Volume: 52
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(77)80534-4

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✦ Synopsis

Self-consistent wnvcfunctlon\ ,trc obt,uncd III t11u tiT;S Xa! model for a tree water molecule ns well as dimcrs nnd trirncrs. 'l hc dnrier and tnmer results nrc 5yr~thcsi~cd to deduce the contr:bution of the Iiydrogcn bond to tilt Compton profile of water. Illis otfcrb a wry re.3son.3blc cxplanntlon for ;f rub\tnnti;il part of the dlffcrcncc bctwccn thcorctlLa1 ckulation on :I free water molecule nnd cxperlment.

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