๐”– Bobbio Scriptorium
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The idea of a potential energy surface

โœ Scribed by Sutcliffe, B. T.


Book ID
120432813
Publisher
Taylor and Francis Group
Year
2006
Tongue
English
Weight
152 KB
Volume
104
Category
Article
ISSN
0026-8976

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๐Ÿ“œ SIMILAR VOLUMES


The N2Ar potential energy surface
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The potential energy surface for the NzAr system has been obtained assuming a spherical average interaction previously reported from this laboratory. The angular dependence has been assessed by a combined analysis of the integral and differcnriai scattering cross sections and some spectroscopic data

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Three "true" minimum energy conformations and several transition state structures have been located on the potential energy surface for the H,SiO, molecule, calculated at the SCF/3-21G level of theory. Geometry optimisation for each stationary point has been performed with inclusion of polarization

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