𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Ab initio study of the force constants of inorganic molecules ONF and NF3

✍ Scribed by Wolfgang Sawodny; Péter Pulay


Publisher
Elsevier Science
Year
1974
Tongue
English
Weight
498 KB
Volume
51
Category
Article
ISSN
0022-2852

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Determination of ab initio force constan
✍ D.S. Marynick; Ch.V.S. Ramachandra Rao 📂 Article 📅 1982 🏛 Elsevier Science 🌐 English ⚖ 385 KB

Ab uutio SCF c3lculatlons at the 4-31C level wsrc performed to obldm the Pownthl surfwe of the ground states of r20 and Hz0 The 19-parameter quartic force field and Ihe spcc~roscop~c conskmts w, and x,, ~vrc obtrmed

An application of chemometric techniques
✍ João Bosco P da Silva; Benı́cio de B Neto; Mozart N Ramos; Roy E Bruns 📂 Article 📅 1998 🏛 Elsevier Science 🌐 English ⚖ 156 KB

The chemometric techniques Principal Component Analysis PCA and two-level Factorial Design FD were employed to analyze the effects of wave function modifications on calculated rotational constants for a set of linear molecules. These multivariate investigations led to the selection of the MP2r6-311G