𝔖 Bobbio Scriptorium
✦   LIBER   ✦

The Molecular Constants and Potential Energy Curve of the Ground StateX1Σ+in KLi

✍ Scribed by V. Bednarska; I. Jackowska; W. Jastrzębski; P. Kowalczyk


Publisher
Elsevier Science
Year
1998
Tongue
English
Weight
119 KB
Volume
189
Category
Article
ISSN
0022-2852

No coin nor oath required. For personal study only.

✦ Synopsis


The ground state X 1 S / of the diatomic molecule KLi has been studied by analyzing spectra of the B 1 P-X 1 S / system, simplified by polarization labeling. Rotational and vibrational constants are reported for the X 1 S / state covering about 45% of its potential well depth and the potential curve is constructed by the Rydberg-Klein-Rees (RKR) procedure. Comparison with previous experimental and theoretical work is made.


📜 SIMILAR VOLUMES


Potential Energy Curves for X1Σ+ and A1Π
✍ I Borges Jr.; P.J.S.B Caridade; A.J.C Varandas 📂 Article 📅 2001 🏛 Elsevier Science 🌐 English ⚖ 162 KB

We report new potential energy curves for the X 1 + and A 1 states of the CO molecule by employing the realistic extended Hartree-Fock approximate correlation energy model for diatomics with inclusion of the united-atom limit (EHFACE2U). Special care has been taken to describe the A 1 potential maxi

On the use of electrostatic potential de
✍ Piotr Cieplak; Peter Kollman 📂 Article 📅 1991 🏛 John Wiley and Sons 🌐 English ⚖ 472 KB

## Abstract We have carried out free energy perturbation calculations on the relative solvation free energy of __cis__‐ and __trans__‐__N__‐methyl‐acetamide (NMA). Experimentally, the solvation free energy difference has been found to be near zero. Using 6‐31G\* __ab initio__ electrostatic potentia