## Abstract Thiamin diphosphate (ThDP) is the biologically active form of vitamin B~1~ and an essential cofactor for a number of enzymes. The effect of solvent polarity on the tautomeric equilibria of ThDP using three model systems of the 4′‐aminopyrimidine ring is studied by density functional the
✦ LIBER ✦
Influence of excitation and solvation on the shift of tautomeric equilibrium. A quantum-mechanical study
✍ Scribed by Józef S. Kwiatkowski; Anna Tempczyk
- Book ID
- 107942059
- Publisher
- Elsevier Science
- Year
- 1984
- Tongue
- English
- Weight
- 573 KB
- Volume
- 85
- Category
- Article
- ISSN
- 0301-0104
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
A DFT study of solvation effects on the
✍
Mette Alstrup Lie; Birgit Schiøtt
📂
Article
📅
2008
🏛
John Wiley and Sons
🌐
English
⚖ 394 KB
👁 1 views
A quantum mechanical study of the rotati
✍
E. Roueff; D. R. Flower
📂
Article
📅
1999
🏛
John Wiley and Sons
🌐
English
⚖ 200 KB
Reaction Mechanism and Tautomeric Equili
✍
Lima, Maria Carolina P.; Coutinho, Kaline; Canuto, Sylvio; Rocha, Willian R.
📂
Article
📅
2006
🏛
American Chemical Society
🌐
English
⚖ 128 KB
A quantum mechanical study of the equili
✍
Camillo Tosi
📂
Article
📅
1984
🏛
John Wiley and Sons
🌐
English
⚖ 375 KB
The equilibrium between three pairs of 1,4-and 1,6-dialkylcyclooctatetraenes was investigated with the two quantum mechanical algorithms, IBMOL and PCILO. PCILO computations reproduce the trend of stability within each pair of isomers obtained earlier by Allinger with molecular mechanics calculation
The influence of ionic surfactants on th
✍
R. A. Shagidullina; I. S. Ryzhkina; A. B. Mirgorodskaya; L. A. Kudryavtseva; V.
📂
Article
📅
1994
🏛
Springer
🌐
English
⚖ 306 KB
A DFT study of solvation effects and NBO
✍
Shabanian, Meisam; Moghanian, Hassan; Hajibeygi, Mohsen; Mohamadi, Azin
📂
Article
📅
2016
🏛
Elsevier
🌐
English
⚖ 406 KB