Localized molecular orbitals and electronic structure of buckminsterfullerene

Dennis S. Marynick; S. Estreicher

doi:10.1016/0009-2614(86)80630-3

Localized molecular orbitals and electronic structure of buckminsterfullerene

Dennis S. Marynick, S. Estreicher

Physics

Research output: Contribution to journal › Article › peer-review

53 Scopus citations

Abstract

The method of PRDDO is employed to calculate the optimized geometry, energy of formation, ionization potential, bond orders, and localized molecular orbitals for Buckminsterfullerene (C₆₀).

Original language	English
Pages (from-to)	383-386
Number of pages	4
Journal	Chemical Physics Letters
Volume	132
Issue number	4-5
DOIs	https://doi.org/10.1016/0009-2614(86)80630-3
State	Published - Dec 19 1986

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title = "Localized molecular orbitals and electronic structure of buckminsterfullerene",

abstract = "The method of PRDDO is employed to calculate the optimized geometry, energy of formation, ionization potential, bond orders, and localized molecular orbitals for Buckminsterfullerene (C60).",

author = "Marynick, {Dennis S.} and S. Estreicher",

year = "1986",

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language = "English",

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AU - Estreicher, S.

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Y1 - 1986/12/19

N2 - The method of PRDDO is employed to calculate the optimized geometry, energy of formation, ionization potential, bond orders, and localized molecular orbitals for Buckminsterfullerene (C60).

AB - The method of PRDDO is employed to calculate the optimized geometry, energy of formation, ionization potential, bond orders, and localized molecular orbitals for Buckminsterfullerene (C60).

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JO - Chemical Physics Letters

JF - Chemical Physics Letters

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