Ítem
Horbatenko, Yevhen | |
6 juliol 2010 | |
Hydrogen bonds are an essential concept in chemistry and have been studied extensively by both theoretical and experimental methods. An interesting special case is short strong hydrogen bonds present in proton sponges. In principle, three cases are possible. The potential energy surface (PES) of the hydrogen motion indeed has only one symmetric minimum. Alternatively, there can be two minima separated by a small barrier, such that the proton still moves freely between them even at 0 K. Finally, if the barrier is slightly larger, the proton motion can be frozen at low temperature, but still occurs easily at higher temperature | |
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Horbatenko, Y. (2010). Hydrogen motion in proton sponges. A ’IX Girona Seminar’. Girona: Universitat. [Consulta 3 etembre 2010]. Disponible a: http://hdl.handle.net/10256.1/1687 | |
http://hdl.handle.net/10256.1/1687 | |
eng | |
Universitat de Girona. Departament de Química Universitat de Girona. Institut de Química Computacional |
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IX Girona Seminar | |
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Química quàntica -- Congressos
Quantum chemistry -- Congresses |
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Hydrogen motion in proton sponges | |
info:eu-repo/semantics/lecture | |
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