✦ LIBER ✦

The structural effects of fluorine substitution in pyridine, pyrimidine, and s-triazine: An ab initio study

✍ Scribed by James E. Boggs; Frank Pang

Book ID: 112127698
Publisher: Journal of Heterocyclic Chemistry
Year: 1984
Tongue: English
Weight: 347 KB
Volume: 21
Category: Article
ISSN: 0022-152X
DOI: 10.1002/jhet.5570210647

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Geometric and electronic structures of c

Geometric and electronic structures of chlorine- and fluorine-substituted carbonyl and thiocarbonyl compounds. An ab initio study

✍ Heinz Oberhammer; James E. Boggs 📂 Article 📅 1979 🏛 Elsevier Science 🌐 English ⚖ 908 KB

Breaking and making of the S–S linkage v

Breaking and making of the S–S linkage via nucleophilic substitution.: An ab initio study

✍ Pál Császár; Imre G. Csizmadia; Wladia Viviani; Michel Loos; Jean-Louis Rivail; 📂 Article 📅 1998 🏛 Elsevier Science 🌐 English ⚖ 402 KB

An ab-initio SCF-MO study of the solvent

An ab-initio SCF-MO study of the solvent effect in α-substituted carbanions

✍ Fernando Bernardi; Giorgio Suzzi Valli; Alessandro Venturini 📂 Article 📅 1989 🏛 Elsevier Science 🌐 English ⚖ 527 KB

The effects of fluorine and chlorine sub

The effects of fluorine and chlorine substitution on bond lengths in ethanes and disilanes: comparisons of ab initio and experimental information

✍ B. Fodi; D.C. McKean; M.H. Palmer 📂 Article 📅 2000 🏛 Elsevier Science 🌐 English ⚖ 384 KB

Trends in the Torsional Potentials of Me

Trends in the Torsional Potentials of Methoxy and Trifluoromethoxy Groups: An ab Initio and Density Functional Study on the Structure of para-Substituted Pyridines and Pyridinium Cations

✍ Klocker, Johanna; Karpfen, Alfred; Wolschann, Peter 📂 Article 📅 2003 🏛 American Chemical Society 🌐 English ⚖ 99 KB

The effect of fluorination on NC and P

The effect of fluorination on NC and PC double bonds. An AB initio study

✍ Hans-Georg Mack; Bernd Steger; Heinz Oberhammer 📂 Article 📅 1986 🏛 Elsevier Science 🌐 English ⚖ 292 KB

The geometries of HN=CH2, HP=CH? and their fluorinated species were optimized at the SCF HF and MP2 levels using the GAUSSIAN 82 program (6-3 IG\*\* basis set). The structural effect of fluorination on the double bonds is compared with available experimental data.