𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Conformational, spectroscopic and nonlinear optical properties of biologically active N,N-dimethyltryptamine molecule: A theoretical study

✍ Scribed by Öner, Nazmiye; Tamer, Ömer; Avcı, Davut; Atalay, Yusuf


Book ID
124088343
Publisher
Elsevier Science
Year
2014
Tongue
English
Weight
956 KB
Volume
133
Category
Article
ISSN
1386-1425

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Theoretical study of the structures, con
✍ L. Rhyman; Hassan H. Abdallah; P. Ramasami 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 210 KB

## Abstract 2‐Formylthiophene‐__N__‐acetylhydrazone (Hait) and 2‐thiophenecarboxaldehyde‐2‐thienylhydrazone (Htit) in the cis and trans conformations were investigated in the gas‐phase by density functional method using B3LYP as the functional set and 6‐311++G(d,p) as the basis set. The cis and tra

A theoretical study of the linear, nonli
✍ G. Uğurlu; E. Kasap; Z. Kantarci; M. Bahat 📂 Article 📅 2007 🏛 Elsevier Science 🌐 English ⚖ 250 KB

In this study, we have investigated the energies, dipole moments, HOMO-LUMO energy differences and polarizability values of 3phenylthiophene and its fluoro-substitued derivatives as a function of the torsional angle. For each molecule, geometrical parameters have obtained using ab initio [Hartree-Fo