𝔖 Bobbio Scriptorium
✦   LIBER   ✦

An ab initio SCF-MO study of the hydrogen bonded complexes CO2…HF, CO2…HCl, SCO…HF and SCO…HCl

✍ Scribed by Alan Hinchliffe

Publisher
Elsevier Science
Year
1982
Weight
340 KB
Volume
22
Category
Article
ISSN
0378-4487

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

An ab initio SCF-MO study of the weakly
An ab initio SCF-MO study of the weakly hydrogen bonded complexes CO…HF, CO…HCl, OC…HF and OC…HCl
✍ Alan Hinchliffe 📂 Article 📅 1981 🏛 Elsevier Science ⚖ 280 KB

Large-scale gaussian orbital SCF-MO results are reported for the title molecules. R,(X... H) and De(X...H) values are given, and in either case the complexes OC...HF and DC...HCl are more stable than the corresponding CO...HX complexes. The changes on electronic distribution on complex formation are

Ab initio SCF MO study of the hydrogen-b
Ab initio SCF MO study of the hydrogen-bonded dimers of cyanogen with HF and HCl
✍ 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

Hydrogen bonding in HCN…HF, HCN…HCl, CH3
Hydrogen bonding in HCN…HF, HCN…HCl, CH3CN…HF and CH3CN…HC1; an ab initio SCF-MO study
✍ Alan Hinchliffe 📂 Article 📅 1981 🏛 Elsevier Science ⚖ 411 KB

Large scale gaussian orbital SCF-MO results are reported for the title hydrogen-bonded complexes. Calculated R(N...H) distances, hydrogen bond dissociation energies and the change in electric dipole moment on complex formation agree well with the results obtained from microwave studies in all cases

An ab initio SCF MO study of the molecul
An ab initio SCF MO study of the molecular structure and properties of the hydrogen-bonded dimers of ethyne and ethene with HF and HCl
✍ Alan Hinchliffe 📂 Article 📅 1982 🏛 Elsevier Science 🌐 English ⚖ 175 KB

Large-scale f-lussn~ orbxd SCT MO calculations xe prc.cntcd for rhc t11lc molcculc> C&xd.ncd rqudlbrmm bcomc-LIICS, hydrogen-bond dlssoclarron encrg~cs. and on~vlccrron propcrncs are gwcn LO supplement c\pcnmcnml dam ior C2H: HCI Chanbcs oi clecrron dlsrnburlon on cornpIe\ torm~non arc dlscusscd rn