Normal vibrational modes of buckminsterfullerene
The MNDO approximation is employed to compute normal modes of vibration for the proposed C/sub 60/ isomer known as buckminsterullerene. Group theoretical invariance theorems are derived to aid in the interpretation of the normal modes. One particularly interesting mode (the sole A/sub u/ vibration)...
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| Veröffentlicht in: | J. Phys. Chem.; (United States) 1988-04, Vol.92 (8), p.2141-2145 |
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| container_issue | 8 |
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| container_title | J. Phys. Chem.; (United States) |
| container_volume | 92 |
| creator | Stanton, Richard E Newton, Marshall D |
| description | The MNDO approximation is employed to compute normal modes of vibration for the proposed C/sub 60/ isomer known as buckminsterullerene. Group theoretical invariance theorems are derived to aid in the interpretation of the normal modes. One particularly interesting mode (the sole A/sub u/ vibration) consists of a rotary oscillation of the pentagonal rings of C/sub 60/, with all rings rotating in the same direction. |
| doi_str_mv | 10.1021/j100319a012 |
| format | Article |
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Group theoretical invariance theorems are derived to aid in the interpretation of the normal modes. One particularly interesting mode (the sole A/sub u/ vibration) consists of a rotary oscillation of the pentagonal rings of C/sub 60/, with all rings rotating in the same direction.</description><identifier>ISSN: 0022-3654</identifier><identifier>EISSN: 1541-5740</identifier><identifier>DOI: 10.1021/j100319a012</identifier><identifier>CODEN: JPCHAX</identifier><language>eng</language><publisher>Washington, DC: American Chemical Society</publisher><subject>400201 - Chemical & Physicochemical Properties ; Atomic and molecular clusters ; Atomic and molecular physics ; BOND ANGLE ; BOND LENGTHS ; CARBON ; CARBON COMPOUNDS ; DATA ; DIMENSIONS ; ELEMENTAL MINERALS ; ELEMENTS ; ENERGY LEVELS ; Exact sciences and technology ; EXCITED STATES ; GRAPHITE ; INFORMATION ; INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY ; LENGTH ; MINERALS ; NONMETALS ; NORMAL-MODE ANALYSIS ; NUMERICAL DATA ; OSCILLATOR STRENGTHS ; Physics ; Studies of special atoms, molecules and their ions; clusters ; THEORETICAL DATA ; VIBRATIONAL STATES</subject><ispartof>J. 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Phys. Chem.; (United States)</title><addtitle>J. Phys. Chem</addtitle><description>The MNDO approximation is employed to compute normal modes of vibration for the proposed C/sub 60/ isomer known as buckminsterullerene. Group theoretical invariance theorems are derived to aid in the interpretation of the normal modes. One particularly interesting mode (the sole A/sub u/ vibration) consists of a rotary oscillation of the pentagonal rings of C/sub 60/, with all rings rotating in the same direction.</description><subject>400201 - Chemical & Physicochemical Properties</subject><subject>Atomic and molecular clusters</subject><subject>Atomic and molecular physics</subject><subject>BOND ANGLE</subject><subject>BOND LENGTHS</subject><subject>CARBON</subject><subject>CARBON COMPOUNDS</subject><subject>DATA</subject><subject>DIMENSIONS</subject><subject>ELEMENTAL MINERALS</subject><subject>ELEMENTS</subject><subject>ENERGY LEVELS</subject><subject>Exact sciences and technology</subject><subject>EXCITED STATES</subject><subject>GRAPHITE</subject><subject>INFORMATION</subject><subject>INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY</subject><subject>LENGTH</subject><subject>MINERALS</subject><subject>NONMETALS</subject><subject>NORMAL-MODE ANALYSIS</subject><subject>NUMERICAL DATA</subject><subject>OSCILLATOR STRENGTHS</subject><subject>Physics</subject><subject>Studies of special atoms, molecules and their ions; clusters</subject><subject>THEORETICAL DATA</subject><subject>VIBRATIONAL STATES</subject><issn>0022-3654</issn><issn>1541-5740</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>1988</creationdate><recordtype>article</recordtype><recordid>eNpt0E1Lw0AQBuBFFKzVk3-giOBBorPfyVGrVaGoYPW6bDYTTJtky24q-u-NRIoHTzuwzwwzLyHHFC4oMHq5pACcZhYo2yEjKgVNpBawS0YAjCVcSbFPDmJcAgDlnI4IPPrQ2HryUeXBdpVv-7rxBcaJLyf5xq2aqo0dhnJT1xiwxUOyV9o64tHvOyavs9vF9D6ZP909TK_miRWMd0mZcWsLyKhEhVwVDgsmuE6tA6lzsApYLgopFCt4jkhZimmZQ5FyjrkSyMfkZJjrY1eZ6KoO3bvzbYuuM5oJrTjr0fmAXPAxBizNOlSNDV-GgvlJxPxJpNeng17b6GxdBtu6Km5bNCgmpepZMrCqP_xz-23DyijNtTSL5xcDU5Hp67eZuen92eCti2bpN6HPMP67wDfS2XpC</recordid><startdate>198804</startdate><enddate>198804</enddate><creator>Stanton, Richard E</creator><creator>Newton, Marshall D</creator><general>American Chemical Society</general><scope>BSCLL</scope><scope>IQODW</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>OTOTI</scope></search><sort><creationdate>198804</creationdate><title>Normal vibrational modes of buckminsterfullerene</title><author>Stanton, Richard E ; Newton, Marshall D</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-a423t-f93aad0915e6e36dced24378ac057b0a602b4d5462d3bee128e8fb0d833eb64e3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>1988</creationdate><topic>400201 - Chemical & Physicochemical Properties</topic><topic>Atomic and molecular clusters</topic><topic>Atomic and molecular physics</topic><topic>BOND ANGLE</topic><topic>BOND LENGTHS</topic><topic>CARBON</topic><topic>CARBON COMPOUNDS</topic><topic>DATA</topic><topic>DIMENSIONS</topic><topic>ELEMENTAL MINERALS</topic><topic>ELEMENTS</topic><topic>ENERGY LEVELS</topic><topic>Exact sciences and technology</topic><topic>EXCITED STATES</topic><topic>GRAPHITE</topic><topic>INFORMATION</topic><topic>INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY</topic><topic>LENGTH</topic><topic>MINERALS</topic><topic>NONMETALS</topic><topic>NORMAL-MODE ANALYSIS</topic><topic>NUMERICAL DATA</topic><topic>OSCILLATOR STRENGTHS</topic><topic>Physics</topic><topic>Studies of special atoms, molecules and their ions; clusters</topic><topic>THEORETICAL DATA</topic><topic>VIBRATIONAL STATES</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Stanton, Richard E</creatorcontrib><creatorcontrib>Newton, Marshall D</creatorcontrib><creatorcontrib>Canisius College, Buffalo, NY (USA)</creatorcontrib><collection>Istex</collection><collection>Pascal-Francis</collection><collection>CrossRef</collection><collection>OSTI.GOV</collection><jtitle>J. Phys. Chem.; (United States)</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Stanton, Richard E</au><au>Newton, Marshall D</au><aucorp>Canisius College, Buffalo, NY (USA)</aucorp><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Normal vibrational modes of buckminsterfullerene</atitle><jtitle>J. Phys. Chem.; (United States)</jtitle><addtitle>J. Phys. Chem</addtitle><date>1988-04</date><risdate>1988</risdate><volume>92</volume><issue>8</issue><spage>2141</spage><epage>2145</epage><pages>2141-2145</pages><issn>0022-3654</issn><eissn>1541-5740</eissn><coden>JPCHAX</coden><abstract>The MNDO approximation is employed to compute normal modes of vibration for the proposed C/sub 60/ isomer known as buckminsterullerene. Group theoretical invariance theorems are derived to aid in the interpretation of the normal modes. One particularly interesting mode (the sole A/sub u/ vibration) consists of a rotary oscillation of the pentagonal rings of C/sub 60/, with all rings rotating in the same direction.</abstract><cop>Washington, DC</cop><pub>American Chemical Society</pub><doi>10.1021/j100319a012</doi><tpages>5</tpages></addata></record> |
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| ispartof | J. Phys. Chem.; (United States), 1988-04, Vol.92 (8), p.2141-2145 |
| issn | 0022-3654 1541-5740 |
| language | eng |
| recordid | cdi_crossref_primary_10_1021_j100319a012 |
| source | American Chemical Society Journals |
| subjects | 400201 - Chemical & Physicochemical Properties Atomic and molecular clusters Atomic and molecular physics BOND ANGLE BOND LENGTHS CARBON CARBON COMPOUNDS DATA DIMENSIONS ELEMENTAL MINERALS ELEMENTS ENERGY LEVELS Exact sciences and technology EXCITED STATES GRAPHITE INFORMATION INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY LENGTH MINERALS NONMETALS NORMAL-MODE ANALYSIS NUMERICAL DATA OSCILLATOR STRENGTHS Physics Studies of special atoms, molecules and their ions clusters THEORETICAL DATA VIBRATIONAL STATES |
| title | Normal vibrational modes of buckminsterfullerene |
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