Mechanism of the inner hydrogen atom transfer in free base porphyrazine: a direct ab initio dynamics study
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry
Reference23 articles.
1. Mechanism and Quantum Mechanical Tunneling Effects on Inner Hydrogen Atom Transfer in Free Base Porphyrin: A Direct ab Initio Dynamics Study
2. Tautomerism in free base porphyrins: the porphyrin potential energy surface
3. Electron correlation in tetrapyrroles: ab initio calculations on porphyrin and the tautomers of chlorin
4. Structure and Stability of cis-Porphyrin
5. The Mechanism of Inner-Hydrogen Migration in Free Base Porphyrin: Ab Initio MP2 Calculations
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