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On the role of dissociative πσ* states in the photochemistry of protonated tryptamine and tryptophan: An ab initio study

✍ Scribed by G. Grégoire; C. Jouvet; C. Dedonder; A.L. Sobolewski


Book ID
108088737
Publisher
Elsevier Science
Year
2006
Tongue
English
Weight
281 KB
Volume
324
Category
Article
ISSN
0301-0104

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✍ Theresa Julia Zielinski; Michael R. Peterson; Imre G. Csizmadia; Robert Rein 📂 Article 📅 1982 🏛 John Wiley and Sons 🌐 English ⚖ 422 KB 👁 1 views

Ab initio SCF molecular orbital calculations have been performed to ascertain the conformational preferences of protonated, neutral, and deprotonated amidine [HC(=NH)NHz], using the 3-21G split valence basis set. The states of eight stable species, eight transition states, and four higher-order sadd