๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Structure of vinyl alcohol: a resolution of the discrepancy between theory and experiment

โœ Scribed by Smith, Brian J.; Radom, Leo


Book ID
126278728
Publisher
American Chemical Society
Year
1990
Tongue
English
Weight
552 KB
Volume
112
Category
Article
ISSN
0002-7863

No coin nor oath required. For personal study only.


๐Ÿ“œ SIMILAR VOLUMES


The ammonia dimer potential energy surfa
โœ David M. Hassett; Colin J. Marsden; Brian J. Smith ๐Ÿ“‚ Article ๐Ÿ“… 1991 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 666 KB

Seven different structures of the ammonia dimer have been investigated by ab initio MO techniques. Geometries have been optimized and vibrational frequencies calculated using SCF MP2 and QCISD methods, with basis sets as large as 6-31 I +G (3d', 2~). Final energies were obtained using QCISD(T) theor

Confirmation of the discrepancy between
โœ Gretchen M. Schwenzer; Charles F. Bender; Henry F. Schaefer III ๐Ÿ“‚ Article ๐Ÿ“… 1975 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 313 KB

Ab initio calculations have be-n carried out on the fLst uld second IA" states of HCN usin,o relatively large and flexible basis sets The predicted geometries have been compared with the experimental results of Hemberg 2nd Innes and with earlier calculations on HCN. These calculations concur Mth ear