𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Theoretical DFT study on spectroscopic signature and molecular dynamics of neurotransmitter and effect of hydrogen removal

✍ Scribed by Mukherjee, V.; Singh, N.P.; Yadav, R.A.


Book ID
118743534
Publisher
Elsevier Science
Year
2013
Tongue
English
Weight
594 KB
Volume
107
Category
Article
ISSN
1386-1425

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


DFT/TDDFT study on the excited-state hyd
✍ Hongfei Wang; Meishan Wang; Enfu Liu; Mingliang Xin; Chuanlu Yang πŸ“‚ Article πŸ“… 2011 πŸ› Elsevier 🌐 English βš– 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