𝔖 Bobbio Scriptorium
✦   LIBER   ✦

DFT Calculations on Hydrogen-Bonded Complexes Formed Between Guanine and Acrylamide

✍ Scribed by Xiuying Chen; Ying Zhang; Fang Yu; Haijun Wang


Publisher
Springer US
Year
2010
Tongue
English
Weight
370 KB
Volume
39
Category
Article
ISSN
0095-9782

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


PCILO calculations on hydrogen bonded co
✍ R. Lochmann 📂 Article 📅 1977 🏛 John Wiley and Sons 🌐 English ⚖ 472 KB

## Abstract The PCILO method was used to study systematically systems with the following types of intermolecular hydrogen bonds: . In all cases the PCILO method gives a correct description of the stabilization energies in a good agreement with reliable __ab initio__ results. The PCILO calculated eq

DFT/TDDFT study on the excited-state hyd
✍ Hongfei Wang; Meishan Wang; Enfu Liu; Mingliang Xin; Chuanlu Yang 📂 Article 📅 2011 🏛 Elsevier 🌐 English ⚖ 350 KB

The time-dependent density functional theory (TDDFT) method was performed to investigate the hydrogen-bonding dynamics of methyl cyanide (MeCN) as hydrogen bond acceptor in hydrogen donating methanol (MeOH) solvent. The ground-state geometry optimizations, electronic transition energies and correspo

PCILO calculations on hydrogen bonded co
✍ Th. Weller 📂 Article 📅 1977 🏛 John Wiley and Sons 🌐 English ⚖ 310 KB

## Abstract The PCILO method was used to study systems with the following types of intermolecular hydrogen bonds, involving 2nd row atoms: N…︁HS, S…︁HS, N…︁HCl, Cl…︁HF, Cl…︁HCl, P…︁HN, P…︁HP, P…︁HF, S…︁HF. In all the cases calculated, the PCILO method yields an accurate qualitative descri