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PCILO calculation of intermolecular energies: The water dimer

โœ Scribed by Thomas H. Spurling; Ian K. Snook

Publisher
Elsevier Science
Year
1975
Tongue
English
Weight
568 KB
Volume
32
Category
Article
ISSN
0009-2614

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The eight verhcal valence ionization energies of the water dimer are calculated by the ACI method. EwAlcnt agreement wlh mcxwementsof the lirst and second lomzauon energws is found. Calculations of the remaining SW iomzatlon enrrges IS found. Calculations of the remvnmg su ionization energrcs are su