✦ LIBER ✦

Density functional estimates of charge transfer and chemical potentials in hydrogen halides and mixed halides

✍ Scribed by J.A. Alonso; N.H. March

Book ID: 103664425
Publisher: Elsevier Science
Year: 1983
Tongue: English
Weight: 339 KB
Volume: 76
Category: Article
ISSN: 0301-0104
DOI: 10.1016/0301-0104(83)85056-3

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Density functional calculations of poten

Density functional calculations of potential energy surface and charge transfer integrals in molecular triphenylene derivative HAT6

✍ Mohamed Zbiri; Mark R. Johnson; Gordon J. Kearley; Fokko M. Mulder 📂 Article 📅 2009 🏛 Springer 🌐 English ⚖ 376 KB

Time-dependent density functional theory

Time-dependent density functional theory study on hydrogen-bonded intramolecular charge-transfer excited state of 4-dimethylamino-benzonitrile in methanol

✍ Guang-Jiu Zhao; Ke-Li Han 📂 Article 📅 2008 🏛 John Wiley and Sons 🌐 English ⚖ 380 KB

## Abstract The time‐dependent density functional theory (TDDFT) method was carried out to investigate the hydrogen‐bonded intramolecular charge‐transfer (ICT) excited state of 4‐dimethylaminobenzonitrile (DMABN) in methanol (MeOH) solvent. We demonstrated that the intermolecular hydrogen bond C≡N·

Standard potentials of the silver/silver

Standard potentials of the silver/silver-iodide electrode in aqueous mixtures of ethylene glycol at different temperatures and the thermodynamics of transfer of hydrogen halides from water to glycolic media

✍ K.K. Kundu; D. Jana; M.N. Das 📂 Article 📅 1973 🏛 Elsevier Science 🌐 English ⚖ 844 KB

The standard potentials (E") of the silver/silver-iodide electrode in aqueous mixtures of ethylene glycol (containing 10,30,50,70 and 90 wt-o/o glycol) have been determined from emf measurements of the cell Pt, Hl(g, 1 atm)/HOAc(ml), NaOAc(m\*), KI(m,), solvent/AgI/Ag at nine temperatures ranging fr