✦ LIBER ✦

Substituent effects on diazomethanes and diazirines by ab initio molecular orbital calculations

✍ Scribed by McAllister, Michael A.; Tidwell, Thomas T.

Book ID: 126193871
Publisher: American Chemical Society
Year: 1992
Tongue: English
Weight: 968 KB
Volume: 114
Category: Article
ISSN: 0002-7863
DOI: 10.1021/ja00042a042

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Alkyl and acyl substituent effects on ni

Alkyl and acyl substituent effects on nitrenium ion stabilities: Ab initio molecular orbital calculations

✍ George P. Ford; P.S. Herman 📂 Article 📅 1990 🏛 Elsevier Science 🌐 English ⚖ 619 KB

Ab initio molecular orbital calculations

Ab initio molecular orbital calculations on oxiranylidene and ethynol

✍ O.P. Strausz; R.K. Gosavi; H.E. Gunning 📂 Article 📅 1978 🏛 Elsevier Science 🌐 English ⚖ 322 KB

Ab initlo double zeta quality SCF MO calculations were carried out on the total energies of the lowest singlet states of oviranylidene and ethynol with full geometrical optimization. The lowest energy paths and energy barrters for the isomertzation of oxiranylidene to ketene and to formylmethylene w

Ab initio molecular orbital study of the

Ab initio molecular orbital study of the substituent effect on phosphine–borane complexes

✍ Hafid Anane; Abdellah Jarid; Abderrahim Boutalib; Ignacio Nebot-Gil; Francisco T 📂 Article 📅 1998 🏛 Elsevier Science 🌐 English ⚖ 95 KB

Ho and hs substituent effect on alkyl ra

Ho and hs substituent effect on alkyl radicals: an ab-initio molecular orbital study

✍ Jacques Fossey; Janine Sorba 📂 Article 📅 1989 🏛 Elsevier Science 🌐 English ⚖ 849 KB

The relationship between substituent eff

The relationship between substituent effects on energy and on charge from ab initio molecular orbital theory

✍ Reynolds, W. F.; Mezey, P. G.; Hehre, W. J.; Topsom, R. D.; Taft, R. W. 📂 Article 📅 1977 🏛 American Chemical Society 🌐 English ⚖ 282 KB

AB initio molecular orbital calculations

AB initio molecular orbital calculations on the benzyl, anilino and phenoxyl radicals

✍ A. Hinchliffe 📂 Article 📅 1974 🏛 Elsevier Science 🌐 English ⚖ 214 KB

We report a high quality gaussian orbital calculation on the benzyl, anilino and phenoxyl radicals. We have also calculated the ESR hyperfine coupling constants for these radicals and find reasonably good agreement with experiment.