✦ LIBER ✦

Ab initio calculation of the dipole polarizabilities of unsaturated hydrocarbons

✍ Scribed by A. Chablo; A. Hinchliffe

Book ID: 107732328
Publisher: Elsevier Science
Year: 1980
Tongue: English
Weight: 285 KB
Volume: 72
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(80)80261-2

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

AB initio linear response calculations o

AB initio linear response calculations of the dipole polarizability of the acetylene molecule

✍ Michal Jaszuński; Antonio Rizzo; Danny L. Yeager 📂 Article 📅 1988 🏛 Elsevier Science 🌐 English ⚖ 447 KB

Ab initio study of the static dipole pol

Ab initio study of the static dipole polarizability of naphthalene

✍ Alan Hinchliffe; Humberto J. Soscun Machado 📂 Article 📅 1993 🏛 Elsevier Science 🌐 English ⚖ 401 KB

An ab initio treatment of the molecular geometry and static dipole polarizability for naphthalene in its electronic ground state is reported, using the coupled perturbative Hartree-Fock method. It is shown that the 6-31 +G and the 6-311 +G basis sets both give polarizability values that are in excel

Static Dipole Polarizabilities of Organi

Static Dipole Polarizabilities of Organic Molecules. Ab Initio Calculations and a Predictive Model

✍ Stout, Joyce M.; Dykstra, Clifford E. 📂 Article 📅 1995 🏛 American Chemical Society 🌐 English ⚖ 746 KB

The ab initio dipole moment and static p

The ab initio dipole moment and static polarizabilities of hydrogen peroxide

✍ Jacek Koput 📂 Article 📅 1996 🏛 Elsevier Science 🌐 English ⚖ 397 KB

The dipole moment, static polarizability and hyperpolarizabilities of hydrogen peroxide, H202, have been determined in large-scale ab initio calculations using the coupled cluster method, CCSD(T). The dependence of the calculated properties on the torsional HOOH angle is discussed. At the CCSD(T)/au

An Ab Initio calculation of the spin dip

An Ab Initio calculation of the spin dipole-dipole parameters for methylene

✍ Stephen R. Langhoff; Ernest R. Davidson 📂 Article 📅 1973 🏛 John Wiley and Sons 🌐 English ⚖ 816 KB

## Abstract The electron spin dipole‐dipole interaction in CH~2~ has been calculated as a function of bond angle with configuration‐interaction wave functions built from contracted gaussianlobe basis functions. The values __D__ = 0.781 cm^−1^ and __E__ = 0.050 cm^−1^ were obtained for the spin dipo

Accurate dipole polarizabilities of smal

Accurate dipole polarizabilities of small silicon clusters from ab initio and density functional theory calculations

✍ Maroulis, George; Begué, Didier; Pouchan, Claude 📂 Article 📅 2003 🏛 American Institute of Physics 🌐 English ⚖ 288 KB