๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Summation of dominant coupling constant logarithms in (QED)3

โœ Scribed by Stephen Templeton


Book ID
113343935
Publisher
Elsevier Science
Year
1981
Tongue
English
Weight
420 KB
Volume
103
Category
Article
ISSN
0370-2693

No coin nor oath required. For personal study only.


๐Ÿ“œ SIMILAR VOLUMES


B3LYP Calculation of Deuterium Quadrupol
โœ William C. Bailey ๐Ÿ“‚ Article ๐Ÿ“… 1998 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 107 KB

The B3LYP/6-31G(df,3p) model for the calculation of deuterium nuclear quadrupole coupling constants (nqcc's) is shown to yield results as accurate as calculations previously performed at the MP4 level of theory. For 25 molecules, ranging from HD and DF to pyridine and fluorobenzene, the rms differen