✦ LIBER ✦

Gas-phase hydrolysis of protonated oxirane. Ab initio and semiempirical molecular orbital calculations

✍ Scribed by Ford, George P.; Smith, Christopher T.

Book ID: 126058505
Publisher: American Chemical Society
Year: 1987
Tongue: English
Weight: 762 KB
Volume: 109
Category: Article
ISSN: 0002-7863
DOI: 10.1021/ja00239a007

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Counterintuitive orbital mixing in semie

Counterintuitive orbital mixing in semiempirical and ab initio molecular orbital calculations

✍ Ammeter, J. H.; Buergi, H. B.; Thibeault, J. C.; Hoffmann, R. 📂 Article 📅 1978 🏛 American Chemical Society 🌐 English ⚖ 784 KB

Unimolecular dissociation of primary alk

Unimolecular dissociation of primary alkanediazonium ions. Ab initio and semiempirical molecular orbital calculations

✍ Ford, George P. 📂 Article 📅 1986 🏛 American Chemical Society 🌐 English ⚖ 662 KB

Conformational Analysis of 1,2:3,4-Diepo

Conformational Analysis of 1,2:3,4-Diepoxides: Ab Initio and semiempirical molecular-orbital calculations

✍ Martin Nikles; Daniel Bur; Urs Séquin; Hanspeter Huber 📂 Article 📅 1992 🏛 John Wiley and Sons 🌐 German ⚖ 402 KB 👁 1 views

From the Ph. D. thesis of M . N . [l]. We call diepoxides 'open-chain' diepoxides, if they are not part of a larger ring system.

Reactions between protonated and neutral

Reactions between protonated and neutral methanol in the gas-phase: an ab initio molecular orbital study

✍ Guy Bouchoux; Nadège Choret 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 230 KB 👁 2 views

Ab initio molecular orbital calculations at the MP2/6-31G\*//MP2/6-31G\* + ZPE level have been performed in order to explore the reaction between CH 3 OH 2 + and CH 3 OH. The detailed mechanism of proton transfer, CH 3 OH 2 + + CH 3 OH ® CH 3 OH + CH 3 OH 2 + , and of cationic nucleophilic substitut

Ab initio molecular orbital calculations

Ab initio molecular orbital calculations of transition metal complexes

✍ Hillier, I.H.; Saunders, V.R. 📂 Article 📅 1972 🏛 Taylor and Francis Group 🌐 English ⚖ 335 KB

The (C3H6N)+ cations in the gas phase: a

The (C3H6N)+ cations in the gas phase: ab initio molecular orbital calculations and tandem mass spectrometry experiments

✍ Bouchoux, Guy; Flament, J. P.; Hoppilliard, Y.; Tortajada, J.; Flammang, R.; Maq 📂 Article 📅 1989 🏛 American Chemical Society 🌐 English ⚖ 702 KB