A New Exploration of the Torsional Energy Surface of N-Pentane Using Molecular Modeling Software
The torsional potential energy surface of a chemical compounds, the accessible conformations at a specified temperature and the transition states that connect these confirmations establishes many chemical properties such as dynamic behavior, reactivity and biological activity. A conformational searc...
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| Veröffentlicht in: | Journal of chemical education 2005-12, Vol.82 (12) |
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| container_title | Journal of chemical education |
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| creator | Galembeck, Sergio E Caramori, Giovanni F Romero, Jose Ricardo |
| description | The torsional potential energy surface of a chemical compounds, the accessible conformations at a specified temperature and the transition states that connect these confirmations establishes many chemical properties such as dynamic behavior, reactivity and biological activity. A conformational search of n-pentane is presented using computational excrement designed for advance undergraduate students and beginning graduate students. |
| format | Article |
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| identifier | ISSN: 0021-9584 |
| ispartof | Journal of chemical education, 2005-12, Vol.82 (12) |
| issn | 0021-9584 |
| language | eng |
| recordid | cdi_eric_primary_EJ749984 |
| source | American Chemical Society Journals |
| subjects | Advanced Students Chemistry Computer Software Graduate Students Molecular Structure Science Instruction Undergraduate Students |
| title | A New Exploration of the Torsional Energy Surface of N-Pentane Using Molecular Modeling Software |
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