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Theoretical study of the NH tautomerism in free base porphyrin

✍ Scribed by M. Boronat; E. Ortí; P.M. Viruela; F. Tomás

Book ID
114142090
Publisher
Elsevier Science
Year
1997
Tongue
English
Weight
729 KB
Volume
390
Category
Article
ISSN
0166-1280

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Status of theoretical modeling of tautomerization in free-base porphyrin
✍ Dilip K. Maity; Thanh N. Truong 📂 Article 📅 2001 🏛 John Wiley and Sons 🌐 English ⚖ 278 KB

We provide a review on the status of theoretical modeling of tautomerization in free-base porphyrin. We focus our discussion on several aspects, namely: (1) potential surfaces for both the stepwise and concerted mechanisms calculated at different levels of theory, (2) solvent effects and (3) kinetic