Course Information

Found 2 records with CourseId:10149 in academic section database. Picking the first.

Course Name: CY5021 : Computational Chy & Exp.Magnetic Resonance Lab

Description: Bound-state ab initio quantum mechanical & density functional calculations, understanding of basis set types and sizes, computational scalability, Hartree-Fock and Post-Hartree-Fock calculations for determining electronic energies and associated molecular properties, electronic structure and thermochemical properties, geometry optimization, study of reaction mechanism, transition-state optimizations Molecular Force-field calculations Magnetic resonance experiments for physicochemical characterization of molecular systems

Slot: T

RoomNo: COMPUTATIO

Instructor: Amrendra Vijay

Period: JUL-NOV 2013

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