๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Theoretical Studies of Large (H 2 O) 32-35 Clusters

โœ Scribed by Khan, Arshad


Book ID
126057322
Publisher
American Chemical Society
Year
1999
Tongue
English
Weight
310 KB
Volume
103
Category
Article
ISSN
1089-5639

No coin nor oath required. For personal study only.


๐Ÿ“œ SIMILAR VOLUMES


Theoretical study of the (H2O)6 cluster
โœ C.J. Tsai; K.D. Jordan ๐Ÿ“‚ Article ๐Ÿ“… 1993 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 643 KB

MP2 calculations are performed on selected structures of (H,O),. A prism-like structure is predicted to be lowest in energy, but three other structures are found to lie energetically within 0.3 kcal/mol of this structure. The S, hexagonal structure is predicted to lie 0.5-1.0 kcal/mol higher in ener

Theoretical studies of tetrakaidecahedra
โœ Arshad Khan ๐Ÿ“‚ Article ๐Ÿ“… 1996 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 440 KB

The structures and stabilities of 24-, 25-and 26-mer water clusters were studied by applying the intermediate neglect of differential overlap self consistent field restricted Hartree-Fock method (INDO SCF RHF) after parametrization for H and O atoms. The 24-mer tetrakaidecahedral cage structure is m

H2O on Lin clusters: a theoretical study
โœ J.A. Schultz; W. McLean; L. Pedersen; R.C. Jarnagin ๐Ÿ“‚ Article ๐Ÿ“… 1979 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 366 KB
Theoretical studies of structures and st
โœ Arshad Khan ๐Ÿ“‚ Article ๐Ÿ“… 1996 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 468 KB

The 26, 27 and 28 mer pentakaidecahedral water clusters were studied by applying the intermediate neglect of differential overlap self-consistent field restricted Hartree-Fock method (INDO SCF RHF) after parameterization for H and O atoms. The 27 and 28 met clusters have one and two water molecules