Computational Chemistry
Computational Chemistry
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SOLVED: Potential energy surface (PES) is the centre of computational chemistry showing the relationship between the energy of a molecule and its geometry. The energy of molecule with N number of atoms can be calculated by applying 3N-6 rotational degree of freedom. However, the potential energy is complicated multidimensional function of the coordinates, thus impossible to visualize the entire energy surface. Suggest a method to solve this problem and explain its advantages. Accordingly, design
SOLVED: Potential energy surface (PES) is the centre of computation…
4 months ago
numerade.com
Chemistry with Mathematics MSci
Chemistry with Mathematics MSci
1 year ago
ucl.ac.uk
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