✦ LIBER ✦

A comparison of ab initio, NMR and diffraction results for a strong OHF hydrogen bond

✍ Scribed by Michael Mortimer; Elaine A. Moore; Andrew Healy; Neil F. Peirson

Publisher: Elsevier Science
Year: 1992
Tongue: English
Weight: 434 KB
Volume: 271
Category: Article
ISSN: 0022-2860
DOI: 10.1016/0022-2860(92)80217-6

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Molecular structure and ring distortions

Molecular structure and ring distortions of fluorobenzene: an electron diffraction study, and a comparison with other experimental and ab initio MO results

✍ Gustavo Portalone; György Schultz; Aldo Domenicano; István Hargittai 📂 Article 📅 1984 🏛 Elsevier Science 🌐 English ⚖ 585 KB

Hydrogen Bonding and Dynamic Behaviour i

Hydrogen Bonding and Dynamic Behaviour in Crystals and Polymorphs of Dicarboxylic–Diamine Adducts: A Comparison between NMR Parameters and X-ray Diffraction Studies

✍ Roberto Gobetto; Carlo Nervi; Michele R. Chierotti; Dario Braga; Lucia Maini; Fa 📂 Article 📅 2005 🏛 John Wiley and Sons 🌐 English ⚖ 313 KB

ChemInform Abstract: Intramolecular Hydr

ChemInform Abstract: Intramolecular Hydrogen Bonding and Molecular Structure of 2,5- Dihydroxyterephthalaldehyde (I) and 4,6-Dihydroxyisophthalaldehyde (II) : A Gas-Phase Electron Diffraction and ab initio Molecular Orbital Study.

✍ K. B. BORISENKO; K. ZAUER; I. HARGITTAI 📂 Article 📅 2010 🏛 John Wiley and Sons ⚖ 27 KB 👁 1 views

## Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable v

The vibrationally averaged molecular str

The vibrationally averaged molecular structure: A comparison of NMR data for oriented benzene with results from electron diffraction and raman spectroscopy

✍ P Diehl; W Niederberger 📂 Article 📅 1973 🏛 Elsevier Science ⚖ 524 KB

Structural changes as a function of tors

Structural changes as a function of torsional motion studied by ab initio calculations part 4. The dependence of the dynamic behavior of the structural parameters for H2O2 and H2S2 on basis sets and comparison with experimental results

✍ Svein Samdal; Vladimir S. Mastryukov; James E. Boggs 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 356 KB