Theoretical calculations performed using the coupled Hartree-Fock perturbation theory (CHFPT) show that the MNDO approximation is superior to INDO and MIND03 in computing nuclear spin coupling constants between directly bonded carbon and hydrogen in polysubstituted methanes, HCXYZ. The CHFPT-MNDO pr
✦ LIBER ✦
Calculation of 1J(13C-29si) spin-spin coupling constants by the maximum overlap approximation method
✍ Scribed by K. Kovačević; Z.B. Maksić
- Publisher
- Elsevier Science
- Year
- 1973
- Tongue
- English
- Weight
- 253 KB
- Volume
- 17
- Category
- Article
- ISSN
- 0022-2860
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
Application of MNDO Approximation to the
✍
Roberta Musio; Oronzo Sciacovelli
📂
Article
📅
1996
🏛
John Wiley and Sons
🌐
English
⚖ 246 KB
👁 2 views
CNDO/SP calculation of the spin—spin cou
✍
G.M. Zhidomirov; I.A. Abronin
📂
Article
📅
1973
🏛
Elsevier Science
🌐
English
⚖ 172 KB
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
Correlation of one-bond 15N13C, 15NM,
✍
E. Kupče; E. Liepiņš; A. Lapsiņa; I. Urtāne; G. Zelčāns; E. Lukevics
📂
Article
📅
1985
🏛
Elsevier Science
🌐
English
⚖ 1010 KB
Critique of the Multipath Model for 1J(C
✍
A. Soncini; P. Lazzeretti
📂
Article
📅
2006
🏛
John Wiley and Sons
🌐
English
⚖ 236 KB
A Monomeric Potassium Salt of Bis(trimet
✍
Prof. Dr. Hans-Joachim Gais; Dipl.-Ing. Jürgen Vollhardt; Prof. Dr. Carl Krüger
📂
Article
📅
1988
🏛
John Wiley and Sons
🌐
English
⚖ 338 KB
Table I. Ternary and quaternary intermetallic molecules that have been characterized via their isotopic patterns. Molecule Appearance energy [eV] Cs21nSbl CsSnSb, CsSnBiSb2 CsSnBi2Sb Cs2Sn2Sb2 [a1 5.6f0.2 5.3 k 0.2 5.0 f 0.3 [a1 [a] Not yet determined.