✦ LIBER ✦

A semi-empirical approach to the estimation of ESR isotropic hyperfine coupling constants in aromatic radicals

✍ Scribed by M. F. Chiu; B. T. Sutcliffe

Publisher: Springer
Year: 1970
Tongue: English
Weight: 725 KB
Volume: 16
Category: Article
ISSN: 1432-2234
DOI: 10.1007/bf00527081

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

ESR features of the bicyclobutyl radical

ESR features of the bicyclobutyl radical revisited. A counterintuitive ordering of short- and long-range isotropic hyperfine coupling constants

✍ Vincenzo Barone; Carlo Adamo; Andre Grand; Robert Subra 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 373 KB

A quantum mechanical protocol for the study of flexible open-shell systems has been applied in a reinvestigation of the isotropic hyperfine coupling constants of the bicyclobutyl radical. Our computations indicate that the most stable structure of the radical corresponds to the exo-form and is chara

Evaluation of a new procedure for quantu

Evaluation of a new procedure for quantum-chemical estimates of constants of isotropic hyperfine coupling with protons in free radicals

✍ N. D. Chuvylkin; A. M. Tokmachev 📂 Article 📅 1999 🏛 Springer 🌐 English ⚖ 662 KB

A perturbation approach to the evaluatio

A perturbation approach to the evaluation of vibrational effects on the hyperfine coupling constant of the NH3+ radical

✍ U. Segre; P. Nordio 📂 Article 📅 1971 🏛 Elsevier Science 🌐 English ⚖ 413 KB

The conventional perturbation theory is employed to &lculate.the vibrational contribution to the hyperfme coupling constant of the NH: radical ion. The perturbing hamiltonian is constructed by expanding the electronic hamiltonian in poweis of the outaf\_pIane vibration normal coordinate. SCF MO wav