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thank you sir thank u very much
K. I. Ramachandran, Gopakumar Deepa, Krishnan Namboori, Computational Chemistry and Molecular Modeling: Principles and Applications, Springer, 2008
ok thanks for your help sir can u please let me know that where can i get the example(in any book or site)in detail
The result of such calculations is a very large in size log and the optimized geometry of structure represented in z-matrix or in some other forms. The computing calculation are very complex. They are based on quantitative solving of Schrodinger equation.
thank u for answering my question sir can u please provide me one example of the calculation and details explaination