✦ LIBER ✦

H-bonded complexes between acetylacetone and two molecules of methanol: HF and DFT level study

✍ Scribed by Vassil B Delchev; Hans Mikosch

Publisher: Springer-Verlag
Year: 2005
Tongue: English
Weight: 302 KB
Volume: 11
Category: Article
ISSN: 1610-2940
DOI: 10.1007/s00894-005-0241-1

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Hydrogen Bonded Complexes of Acetylaceto

Hydrogen Bonded Complexes of Acetylacetone and Methanol: HF and DFT level Study

✍ Vassil B. Delchev 📂 Article 📅 2004 🏛 Springer Vienna 🌐 English ⚖ 354 KB

Electron and Geometry Structure of Hydro

Electron and Geometry Structure of Hydrogen-Bonded Complexes of Guanine with One Molecule Methanol. A DFT Level Study

✍ Vassil B. Delchev; Hans Mikosch 📂 Article 📅 2004 🏛 Springer Vienna 🌐 English ⚖ 395 KB

Study of chemical bonding in H2 and HF m

Study of chemical bonding in H2 and HF molecules: Wave function and density functional theory (DFT) parameters approach

✍ P. Kolandaivel; N. Suba; K. Senthilkumar 📂 Article 📅 2000 🏛 John Wiley and Sons 🌐 English ⚖ 229 KB 👁 2 views

Balint Kurti's Fourier grid Hamiltonian method is employed to obtain the molecular wave function and equilibrium bond length for H 2 and HF molecules. The density functional theory parameter, namely, the chemical hardness (η) value, was determined for some diatomic hydride molecules using this wave

Study of the hydrogen bond and of the pr

Study of the hydrogen bond and of the proton transfer between two H2S molecules

✍ Krzysztof Pecul 📂 Article 📅 1977 🏛 Springer 🌐 English ⚖ 385 KB