✦ LIBER ✦

Ab initio and DFT studies of hydrogen bond interactions in difluoroacetic acid dimer

✍ Scribed by Alireza Najafi Chermahini; Ali Moaddeli; Abbas Teimouri

Publisher: Springer
Year: 2010
Tongue: English
Weight: 310 KB
Volume: 21
Category: Article
ISSN: 1040-0400
DOI: 10.1007/s11224-010-9595-9

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Hydrogen bonding interactions in PN···HX

Hydrogen bonding interactions in PN···HX complexes: DFT and ab initio studies of structure, properties and topology

✍ Pradeep Risikrishna Varadwaj 📂 Article 📅 2009 🏛 Springer-Verlag 🌐 English ⚖ 216 KB

The C—H⋯O hydrogen bond. An ab initio st

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

✍ Hans J. Talberg; Tor Ottersen 📂 Article 📅 1975 🏛 Elsevier Science 🌐 English ⚖ 509 KB

Ab initio and DFT investigations of intr

Ab initio and DFT investigations of intramolecular hydrogen bonding in 1,2-ethanediol

✍ Gábor I. Csonka; Nguyen Anh; János Ángyán; Imre G. Csizmadia 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 401 KB

Ab initio and DFT theory studies of inte

Ab initio and DFT theory studies of interaction of thymine with formaldehyde

✍ Cheng Yang; Haijun Wang 📂 Article 📅 2008 🏛 Springer 🌐 English ⚖ 233 KB

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

Ab initio MO study of dipole—dipole inte

Ab initio MO study of dipole—dipole interactions in acetonitrile dimers

✍ M.R. Dagnino; G. la Manna; L. Paoloni 📂 Article 📅 1976 🏛 Elsevier Science 🌐 English ⚖ 484 KB