𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Dependence of Glycine CH 2 Stretching Frequencies on Conformation, Ionization State, and Hydrogen Bonding

✍ Scribed by Bykov, Sergei V.; Myshakina, Nataliya S.; Asher, Sanford A.


Book ID
126894570
Publisher
American Chemical Society
Year
2008
Tongue
English
Weight
440 KB
Volume
112
Category
Article
ISSN
0022-3654

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Interaction energy and the shift in OH s
✍ Richard Kramer Campen; James D. Kubicki 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 122 KB 👁 2 views

## Abstract The ability to use calculated OH frequencies to assign experimentally observed peaks in hydrogen bonded systems hinges on the accuracy of the calculation. Here we test the ability of several commonly employed model chemistries—HF, MP2, and several density functionals paired with the 6‐3

Time-dependent density functional theory
✍ Rui Wang; Ce Hao; Peng Li; Ning-Ning Wei; Jingwen Chen; Jieshan Qiu 📂 Article 📅 2010 🏛 John Wiley and Sons 🌐 English ⚖ 502 KB

## Abstract The time‐dependent density functional theory (TDDFT) method has been carried out to investigate the excited‐state hydrogen‐bonding dynamics of 4‐aminophthalimide (4AP) in hydrogen‐donating water solvent. The infrared spectra of the hydrogen‐bonded solute−solvent complexes in electronica