✦ LIBER ✦

Influence of intermolecular amide hydrogen bonding on the geometry, atomic charges, and spectral modes of acetanilide: An ab initio study

✍ Scribed by J. Binoy; N. B. Prathima; C. Murali Krishna; C. Santhosh; I. Hubert Joe; V. S. Jayakumar

Book ID: 110207620
Publisher: Springer
Year: 2006
Tongue: English
Weight: 209 KB
Volume: 16
Category: Article
ISSN: 1054-660X
DOI: 10.1134/s1054660x06080147

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

An ab initio study of the influence of s

An ab initio study of the influence of substituents and intramolecular hydrogen bonding on the carbonyl bond length and stretching force constant. I. Monosubstituted carbonyl compounds

✍ Charles W. Bock; Mendel Trachtman; Philip George 📂 Article 📅 1981 🏛 John Wiley and Sons 🌐 English ⚖ 597 KB

The C=O bond length and fc=o,c=o, the corresponding harmonic stretching force constant, are calculated ab initio using the 4-31G basis set (augmented by polarization functions on the sulfur and chlorine) with full geometry optimization for the monosubstituted carbonyl compounds RCHO, where R = H, CH

Influence of self-association and inter-

Influence of self-association and inter-molecular hydrogen bonding on the ν(C N) stretching mode of CH3C N and C2H5C N in binary mixtures with CH3OHA comparative study via concentration-dependent polarized Raman study and ab initio calculation

✍ Sunil K. Srivastava; Animesh K. Ojha; P. Raghuvansh; W. Kiefer; B. P. Asthana 📂 Article 📅 2006 🏛 John Wiley and Sons 🌐 English ⚖ 330 KB