✦ LIBER ✦

Ab initio MO calculations of hyperfine coupling constants. A basis set study for 19F, 35Cl, 19F, and 35Cl

✍ Scribed by S. P. Karna; F. Grein

Publisher: John Wiley and Sons
Year: 1989
Tongue: English
Weight: 629 KB
Volume: 36
Category: Article
ISSN: 0020-7608
DOI: 10.1002/qua.560360310

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

The hyperfine coupling constants of 19F:

The hyperfine coupling constants of 19F: An ab initio MRD-CI basis set study

✍ S. P. Karna; F. Grein; B. Engels; S. D. Peyerimhoff 📂 Article 📅 1989 🏛 John Wiley and Sons 🌐 English ⚖ 518 KB

Ab initio MO calculations of nuclear qua

Ab initio MO calculations of nuclear quadrupole coupling constants of 35Cl and 2H nuclei in CH3Cl, CH2Cl2, CCl2 and CHCl molecules

✍ Arun K. Jain; P. Chandra 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 755 KB

Density functional study for stacking en

Density functional study for stacking energy of cytosine dimer: Ab initio MO calculations based on Slater-type basis set

✍ Noriyuki Kurita; Masahiro Araki; Kenji Nakao; Kinya Kobayashi 📂 Article 📅 2000 🏛 John Wiley and Sons 🌐 English ⚖ 416 KB 👁 1 views

To clarify the efficiency of the molecular orbital (MO) method based on the density functional theory (DFT) for describing the stacking properties of DNA bases, we have investigated the stacking energy of the cytosine dimer by using the Gaussian programs and our developed MO program based on DFT and

An ab initio study of the electronic str

An ab initio study of the electronic structure and isotropic hyperfine coupling constants of HCO, FCO, and HBF using different gaussian basis sets

✍ Colin Thomson; Douglas A. Brotchie 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 383 KB