𝔖 Bobbio Scriptorium
✦   LIBER   ✦

The C—H⋯O hydrogen bond. An ab initio study of nitrosomethane and its hydrogen bonded dimer

✍ Scribed by Hans J. Talberg; Tor Ottersen


Publisher
Elsevier Science
Year
1975
Tongue
English
Weight
509 KB
Volume
29
Category
Article
ISSN
0022-2860

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Ab initio SCF MO study of the hydrogen-b
✍ Alan Hinchliffe 📂 Article 📅 1982 🏛 Elsevier Science 🌐 English ⚖ 168 KB

L~gesulc gaussmn orbItal SCF MO alculat~ons are prcsenlsd for the hldrogcn-bonded complcwr NCCN...HF and NCCN ..HCI. Calculated equrhbnum geometries. hydropn-bond dls>ocwion energies snd selcctrd oncs'lcctron proprrtws XC given to supplement w3ilable e\perlmcnral data. Cbangcs ol clcctron dlstrlbuti

AB initio calculations of 2H and 14N qua
✍ Brian A. Pettitt; Russell J. Boyd; Kenneth E. Edgecombe 📂 Article 📅 1982 🏛 Elsevier Science 🌐 English ⚖ 359 KB

SCF MO CIICUIXIO~S at the 6.31G\*\* level of approumauon are reporred for 'H and "N eleclrx licld gradients III HCN--HCN. HCN-HF, and CH3CN.m.HF dlmers, wth emphasis on the configurational dependence oi these quantitxs in (HCN),. In compxaon wth available experimental nuclcm qu3drupolar coupling con