✦ LIBER ✦

Ab initio calculations on the structure of the benzene dimer

✍ Scribed by P. Čársky; H.L. Selzle; E.W. Schlag

Publisher: Elsevier Science
Year: 1988
Tongue: English
Weight: 490 KB
Volume: 125
Category: Article
ISSN: 0301-0104
DOI: 10.1016/0301-0104(88)87072-1

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Ab initio calculations on the structure

Ab initio calculations on the structure of monomeric and dimeric formic acid

✍ Even Flood 📂 Article 📅 1974 🏛 Elsevier Science 🌐 English ⚖ 582 KB

Ab initio calculations on the structure

Ab initio calculations on the structure of the cyclopropenyl anion

✍ B.Andes Hess Jr.; L.J. Schaad; P. Čársky 📂 Article 📅 1984 🏛 Elsevier Science 🌐 French ⚖ 218 KB

Intermolecular potential of the acetonit

Intermolecular potential of the acetonitrile dimer obtained from ab initio calculations

✍ Cianfranco La Manna 📂 Article 📅 1983 🏛 Elsevier Science 🌐 English ⚖ 330 KB

SCF MO LCAO ab tnttio computations were carried out for 165 contigurattons of the acetomtrde dimer and the cd-c&ted interaction cnergtcs were fitted by an analyttcal potcnttal consisting of a 6-12 Lcnnard-Jones term plus a coulombic term. The configurations correspondtng to the energy mtntma fit quo

Perturbative ab initio calculations of i

Perturbative ab initio calculations of intermolecular energies. III. The water dimer

✍ J. P. Daudey 📂 Article 📅 1974 🏛 John Wiley and Sons 🌐 English ⚖ 737 KB

## Abstract The interaction energy between two water molecules A and B is calculated by the method described in Paper I [1], previously applied for the interaction between two helium atoms (Paper II) [2]. This interaction energy is obtained as the difference between the energies of the complex (A +

A note on the AB initio calculation of i

A note on the AB initio calculation of intermolecular potentials: the HF dimer

✍ Hans Lischka 📂 Article 📅 1979 🏛 Elsevier Science 🌐 English ⚖ 253 KB

Ab initio calculations on the structure,

Ab initio calculations on the structure, vibrational frequencies, and valence excitation energies of the benzene…Ar and benzene…Ar2 cluster

✍ Pavel Hobza; Ota Bludský; Heinrich L. Selzle; Edward W. Schlag 📂 Article 📅 1996 🏛 Elsevier Science 🌐 English ⚖ 457 KB

Excitation spectra of van der Waals (vdW) clusters show spectral shifts due to change in the stabilization energy in the ground and excited state. Ab initio calculations are applied to determine the structure and vibrational frequencies of vdW clusters like benzene...Ar and benzene...Ar 2 in the ele