✦ LIBER ✦

Theoretical Study of Anharmonic and Matrix Effects on the Molecular Structure and Vibrational Frequencies of GdF3 and GdCl3

✍ Scribed by Giuseppe Lanza; Camilla Minichino

Publisher: John Wiley and Sons
Year: 2004
Tongue: English
Weight: 91 KB
Volume: 5
Category: Article
ISSN: 1439-4235
DOI: 10.1002/cphc.200300766

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Experimental and theoretical study of th

Experimental and theoretical study of the structure and vibrational spectra of valpromide, C7H15CONH2

✍ Nieves C. Comelli; Nestor E. Massa; Eduardo A. Castro; Luis Bruno Blanch; Alicia 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 415 KB

## Abstract In this work, we present results of the conformational and vibrational properties of valpromide (Vpd), an amide with antiepileptic activity, studied by IR and Raman spectroscopy at 300 and 77 K, and 300 K, respectively. Experimental data are compared against __ab initio__ calculations p

A theoretical study on the structures an

A theoretical study on the structures and energetics of hypothetical TiM(NCN)3 compounds of the 3d transition metals

✍ Maxence Launay; Richard Dronskowski 📂 Article 📅 2005 🏛 John Wiley and Sons 🌐 English ⚖ 197 KB 👁 1 views

## Abstract Quasi‐ternary cyanamides and carbodiimides of general formula __AB__(NCN)~3~ with __A__ ≠ __B__ have neither been predicted nor synthesized. Thus, hypothetical compounds of that kind containing 3__d__ transition metals were considered (__A__ = Ti, __B__ = Mn, Fe, Co, Ni, Cu) by means of

Theoretical Study of RbOH, CsOH, FrOH, a

Theoretical Study of RbOH, CsOH, FrOH, and Their Cations: Geometries, Vibrational Frequencies, and the Ionization Energies.

✍ Edmond P. F. Lee; Timothy G. Wright 📂 Article 📅 2003 🏛 John Wiley and Sons ⚖ 53 KB

The Molecular and Electronic Structure o

The Molecular and Electronic Structure of Nickelatetrazole – A Theoretical Study

✍ Dörte Kurz; Horst Hennig; Joachim Reinhold 📂 Article 📅 2001 🏛 John Wiley and Sons 🌐 German ⚖ 109 KB 👁 3 views

Theoretical study on the isomeric struct

Theoretical study on the isomeric structures and the stability of silylenoid (Tsi)Cl2SiLi (Tsi = C(SiMe3)3)

✍ Ju Xie; Dacheng Feng; Shengyu Feng 📂 Article 📅 2006 🏛 John Wiley and Sons 🌐 English ⚖ 274 KB 👁 1 views

## Abstract The structures and isomerization of silylenoid (Tsi)Cl~2~SiLi (Tsi = C(SiMe~3~)~3~) were studied by density functional theory (DFT) at the B3LYP/6‐31G(d) level. Four equilibrium structures and three isomeric transition states were located. The three‐membered ring and __p__‐complex struc

Molecular structure, vibrational spectro

Molecular structure, vibrational spectroscopic studies and NBO analysis of the 3,5-dichlorophenylboronic acid molecule by the density functional method

✍ S. Ayyappan; N. Sundaraganesan; M. Kurt; T. R. Sertbakan; M. Özduran 📂 Article 📅 2010 🏛 John Wiley and Sons 🌐 English ⚖ 259 KB 👁 1 views