𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Quantum chemical study of Li-, Na- and K-faujasites

✍ Scribed by S. Beran; J. Heyrovský


Publisher
Elsevier Science
Year
1982
Tongue
English
Weight
108 KB
Volume
41
Category
Article
ISSN
0038-1098

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Quantum chemical study of the molecular
✍ Gerhard Bischof; Alexander Silbernagl; Kersti Hermansson; Michael Probst 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 265 KB 👁 2 views

Molecular dynamics simulations of clusters of Li q and Be 2q cations with up to 12 water molecules were performed calculating the particle trajectories using Hartree᎐Fock-derived forces. It was found that independent of the starting configuration tetrahedral clusters are obtained in less than 1 ps.

Standard Enthalpies of Formation of Li,
✍ João Paulo Leal; Vera Cachata; Adelaide Carvalho 📂 Article 📅 2001 🏛 John Wiley and Sons 🌐 English ⚖ 305 KB 👁 1 views

The enthalpies of formation of lithium, sodium, potassium and thallium cyclopentadienyls were determined by reaction-solution calorimetry as ∆ f H°[LiCp] = -76.5 ± 2.9 kJ/mol, ∆ f H°[NaCp] = -39.7 ± 2.5 kJ/mol, ∆ f H°[KCp] = -83.2 ±

DFT study of the cryptand and benzocrypt
✍ Xueye Wang; Hengliang Wang; Yuanqiang Tan 📂 Article 📅 2008 🏛 John Wiley and Sons 🌐 English ⚖ 209 KB

## Abstract In the present work, a theoretical study of the cryptand 4, 7, 13, 16, 21, 24‐hexaoxa‐1, 10‐ diazabicyclo [8,8,8] hexacosan (the named [222]) and the cryptand 5, 6‐benzo‐4, 7, 13, 16, 21, 24‐hexaoxa‐1, 10‐diazabicyclo [8, 8, 8] hexacosan (the nemed [222B]) had been done using density fu