𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Theoretical study of the nuclear spin—spin coupling constant of the ultrashort central bond in bitetrahedrane

✍ Scribed by V. Galasso


Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
513 KB
Volume
181
Category
Article
ISSN
0301-0104

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Theoretical study of the sign of the 1J(
✍ V. Galasso 📂 Article 📅 1988 🏛 Elsevier Science 🌐 English ⚖ 228 KB

Non-empirical calculations using the equations-of-motion approach are reported for iJ( 15Nt5N) in hydrazine, diazene, isodiazene, the azide anion, and nitrogen. Irrespective of the single or multiple nature of the bond between the nitrogens, iJ( isNi5N) should be negative in all compounds. The only

Theoretical study of the 1J(13C13C) indi
✍ V. Galasso 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 350 KB

Ab initio calculations using the equations of motion approach are reported for 'J( 13C"C) of the bridgehead bond in [ 1.1.1 I-, 12.1.1 I-, [2.2.1 I-, [2.2.2]-, [3.2.1 ]-propellane, bicyclobutane, bicyclopentane, bicyclohexane and tetracyclopentane. The results give an overall picture of the influenc

A theoretical study of nuclear spin coup
✍ V. Galasso; A. Bigotto 📂 Article 📅 1974 🏛 John Wiley and Sons 🌐 English ⚖ 405 KB

## Abstract MO calculations based on the finite perturbation theory in the INDO approximation have been carried out on selenophene, eighteen of its monosubstituted derivatives and benzo (b)selenophene. The calculated nuclear spin coupling constants satisfactorily reproduce signs, magnitudes, intern

Unexpected differential sensitivity of n
✍ William T. Raynes; Jan Geertsen; Jens Oddershede 📂 Article 📅 1992 🏛 Elsevier Science 🌐 English ⚖ 823 KB

Accurate coupled-cluster calculations reveal that when one of the C-H bonds in the methane molecule is stretched by a small amount from its equilibrium bond length (a) the carbon-proton spin-spin coupling constant involving the nuclei of the stretched bond changes by less than the carbon-proton coup

The Calculation of Indirect Nuclear Spin
✍ Mark A. Watson; Paweł Sałek; Peter Macak; Michał Jaszuński; Trygve Helgaker 📂 Article 📅 2004 🏛 John Wiley and Sons 🌐 English ⚖ 372 KB 👁 1 views

## Abstract We present calculations of indirect nuclear spin–spin coupling constants in large molecular systems, performed using density functional theory. Such calculations, which have become possible because of the use of linear‐scaling techniques in the evaluation of the Coulomb and exchange‐cor