Vibrational frequencies of clusters: arsenic oxide, carbon nitride, copper oxide, selenium and related compounds with different atoms / Ahmad Nazrul bin Rosli.
The density functional theory (DFT) has been used to solve the SchrÄodinger equation. The computer programmes have been developed which give a real advantage for solving large matrices in DFT that seem impossible to write by hand. The Amsterdam density functional (ADF) and DMol3 of Accelerys have b...
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2012
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| Online Access: | http://studentsrepo.um.edu.my/3486/4/1._title_page%2C_abstract%2C_content.pdf http://studentsrepo.um.edu.my/3486/5/2._chap_1_%2D_12.pdf http://studentsrepo.um.edu.my/3486/6/3._references.pdf http://studentsrepo.um.edu.my/3486/7/4._appendices%2C_index.pdf http://studentsrepo.um.edu.my/3486/ |
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