𝔖 Bobbio Scriptorium
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ELECTRONIC AND VIBRATIONAL POLARIZABILITIES OF BUCKMINSTERFULLERENE

✍ Scribed by Eric A. Perpète; Jean-Marie André; BenoǏT Champagne; Patrick Senet; Philippe Lambin; Amand A. Lucas

Publisher
Wiley (John Wiley & Sons)
Year
2010
Volume
103
Category
Article
ISSN
0037-9646

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📜 SIMILAR VOLUMES

Vibrational motions of buckminsterfuller
Vibrational motions of buckminsterfullerene
✍ Z.C. Wu; Daniel A. Jelski; Thomas F. George 📂 Article 📅 1987 🏛 Elsevier Science 🌐 English ⚖ 349 KB

A non-Cartesian coordinate system is developed which permits the vibrational motions of Buckminsterfullerene to be expressed in terms of four force constants. A 180 x 180 matrix is then derived which, when diagonalized, yields the complete vibrational spectrum. These results are compared with those

Vibrational redundant coordinates of buc
Vibrational redundant coordinates of buckminsterfullerene
✍ E. Martínez-Torres; J.J. López-González; M. Fernández-Gómez; E. Brendsdal; S.J. 📂 Article 📅 1996 🏛 Elsevier Science 🌐 English ⚖ 310 KB

From symmetry and geometry arguments, the symmetry adapted vibrational redundant coordinates for the molecule of buckminsterfullerene have been obtained as linear combinations of simple internal valence coordinates.

Electronic and vibrational linear and no
Electronic and vibrational linear and nonlinear polarizabilities of Li@C60 and [Li@C60]+
✍ H. Reis; O. Loboda; A. Avramopoulos; M. G. Papadopoulos; B. Kirtman; J. M. Luis; 📂 Article 📅 2010 🏛 John Wiley and Sons 🌐 English ⚖ 104 KB

## Abstract Electronic and vibrational nuclear relaxation (NR) contributions to the dipole (hyper)polarizabilities of the endohedral fullerene Li@C~60~ and its monovalent cation [Li@C~60~]^+^ are calculated at the (U)B3LYP level. Many results are new, while others differ significantly from those re

Localized molecular orbitals and electro
Localized molecular orbitals and electronic structure of buckminsterfullerene
✍ Dennis S. Marynick; S. Estreicher 📂 Article 📅 1986 🏛 Elsevier Science 🌐 English ⚖ 348 KB

The method of PRDDO is employed to calculate the optimized geometry, energy of formation, ionization potential, bond orders, and localized molecular orbitals for Buckminsterfullerene (C,,).

Vibrational polarizabilities for H2+, H2
Vibrational polarizabilities for H2+, H2 and N2
✍ David M Bishop; Brenda Lam 📂 Article 📅 1987 🏛 Elsevier Science 🌐 English ⚖ 348 KB

General formulae for the purely vibrational contributions to the static polarizabilities A,, or, B,, 0, 76, and CM, ys are presented. As specific examples, the vibrational contributions to the 7, B, and C tensors for H;, Ha and N2 are calculated. In addition values of the hexadecapole moment for Hz