✦ LIBER ✦

Structural conformations and electronic interactions of the natural product, oroxylin: a vibrational spectroscopic study

✍ Scribed by Jose P. Abraham; D. Sajan; Joseph Mathew; I. Hubert Joe; V. George; V. S. Jayakumar

Publisher: John Wiley and Sons
Year: 2008
Tongue: English
Weight: 237 KB
Volume: 39
Category: Article
ISSN: 0377-0486
DOI: 10.1002/jrs.2045

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Spectroscopic and Theoretical Study of t

Spectroscopic and Theoretical Study of the Molecular and Electronic Structures of a Terthiophene-Based Quinodimethane

✍ Juan Casado; Ted M. Pappenfus; Kent R. Mann; Enrique Ortí; Pedro M. Viruela; Beg 📂 Article 📅 2004 🏛 John Wiley and Sons 🌐 English ⚖ 279 KB 👁 2 views

## Abstract __The UV/Vis, infrared absorption, and Raman scattering spectra of 3′,4′‐dibutyl‐5,5″‐bis(dicyanomethylene)‐5,5″‐dihydro‐2,2′:5′,2″‐terthiophene have been analyzed with the aid of density functional theory calculations. The compound exhibits a quinoid structure in its ground electronic

Density functional study on the structur

Density functional study on the structural conformations and intramolecular charge transfer from the vibrational spectra of the anticancer drug combretastatin-A2

✍ L. Padmaja; C. Ravikumar; D. Sajan; I. Hubert Joe; V. S. Jayakumar; G. R. Pettit 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 288 KB

Electronic, Vibrational, and Structural

Electronic, Vibrational, and Structural Properties of a Spin-Crossover Catecholato–Iron System in the Solid State: Theoretical Study of the Electronic Nature of the Doublet and Sextet States

✍ A. Jalila Simaan; Marie-Laure Boillot; Rosa Carrasco; Joan Cano; Jean-Jacques Gi 📂 Article 📅 2005 🏛 John Wiley and Sons 🌐 English ⚖ 359 KB 👁 3 views

Enamines. III. A theoretical and photoel

Enamines. III. A theoretical and photoelectron spectroscopic study of the molecular and electronic structures of aziridine enamines

✍ Klaus Müller; Felix Previdoli 📂 Article 📅 1981 🏛 John Wiley and Sons 🌐 German ⚖ 386 KB 👁 2 views

## Abstract The photoelectron (PE.) spectra of __N__‐vinylaziridine (**1**) and some methyl and ethyl substituted derivatives are discussed in the light of quantum‐chemical model calculations using the PRDDO SCF method. All aziridine enamines are found to exist as equilibrium mixtures of variable c

A first principle study of the structura

A first principle study of the structural, vibrational and electronic properties of tetrathiafulvalene adsorbed on Ag(110) and Au(110) surfaces

✍ Benjamí Martorell; Anna Clotet; Jordi Fraxedas 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 491 KB

## Abstract We have studied the adsorption properties of a charge donor organic molecule, tetrathiafulvalene (TTF), on the (110) surfaces of silver and gold by means of the generalized gradient approach of the density functional theory using periodic slab models. This molecule is the core building

Gauche, Ortho, Transoid and Anti Conform

Gauche, Ortho, Transoid and Anti Conformations of the Tetrasilanes SiMe3SiX2SiX2SiMe3 (X=H, F, Cl, Br, I): A Computational and Vibrational Spectroscopic Study

✍ Robert Zink; Günter Tekautz; Alois Kleewein; Karl Hassler 📂 Article 📅 2001 🏛 John Wiley and Sons 🌐 English ⚖ 128 KB 👁 2 views