Anisotropic stress and molecular moduli of C60

✍ Scribed by Peter Haaland; Ruth Pachter; Meir Pachter; Wade Adams

• Publisher: Elsevier Science
• Year: 1992
• Tongue: English
• Weight: 296 KB
• Volume: 199
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(92)80135-x

✦ Synopsis

An exploration of mechanical properties at the molecular level based on inversion of the Hessian matrix is described The molecular response of buckminsterfullerene (C,) to isotropic and anisotropic stresses has been examined using semiempirical molecular orbital methods. Although Cw is very stiff when compressed isotropically, its modulus is decreased by over an order of magnitude when the stresses are anisotropic.