𝔖 Bobbio Scriptorium
✦   LIBER   ✦

On the relative stability of glycine conformers. The role of electron correlation

✍ Scribed by Salvatore Millefiori; Arcangelo Millefiori

Publisher
Elsevier Science
Year
1982
Tongue
English
Weight
178 KB
Volume
91
Category
Article
ISSN
0022-2860

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Recent computational developments with t
Recent computational developments with the self-consistent electron pairs method and application to the stability of glycine conformers
✍ Clifford E. Dykstra; Richard A. Chiles; Michael D. Garrett 📂 Article 📅 1981 🏛 John Wiley and Sons 🌐 English ⚖ 604 KB

## Abstract Significant improvements in calculational efficiency and capability with the self‐consistent electron pairs (SCEP) method has resulted from several new computational developments. A new procedure for constructing the important internal Coulomb and exchange operators has substantially re

Solvent effect on the stability of manno
Solvent effect on the stability of mannobiose conformers
✍ I. Tvaroska; S. Perez; O. Noble; F. Taravel 📂 Article 📅 1987 🏛 Wiley (John Wiley & Sons) 🌐 English ⚖ 478 KB 👁 2 views

The conformational equilibria of seven methyl /3-D-mannobi&de conformers have been studied theoretically in five solvents. The structure of each individual conformer has been refined by the PCILO quantum-chemical method from the seven distinct low-energy regions determined from (a,\*) maps calculate

Solvent effect on the stability of isoma
Solvent effect on the stability of isomaltose conformers
✍ Igor Tvaroska; Anne Imberty; Serge Pérez 📂 Article 📅 1990 🏛 Wiley (John Wiley & Sons) 🌐 English ⚖ 821 KB

## Abstract The conformational equilibria of the low‐energy conformers of isomaltose have been studied in different solvents. The structure of each individual conformer was refined from the 18 distinct low‐energy regions determined from potential energy function. Molecular geometry optimization was

The effect of electron correlation on th
The effect of electron correlation on the conformational space of melatonin
✍ József Csontos; Péter Kálmán; Gyula Tasi; Miklós Kálmán; Richard F. Murphy; Sánd 📂 Article 📅 2008 🏛 John Wiley and Sons 🌐 English ⚖ 245 KB 👁 1 views

## Abstract The pineal gland hormone melatonin regulates several physiological processes including circadian rhythm and also alleviates oxidative stress‐induced degenerative diseases. In spite of its important biological roles, no high level __ab initio__ conformational study has been conducted to

On the dependence of correlation and rel
On the dependence of correlation and relativity: The electron affinity of the copper atom
✍ C.M. Marian 📂 Article 📅 1990 🏛 Elsevier Science 🌐 English ⚖ 495 KB

A one-component spin-free no-pair Hamiltonian has been utilized IO study the influence of relativistic effects on the electron affinity of the copper atom. The calculations show that relativistic and correlation contributions are not independent. Differential relativistic effects are found to be sma