IJFANS International Journal of Food and Nutritional Sciences

ISSN PRINT 2319 1775 Online 2320-7876

METAL OXIDE MONOBORIDES OF 3D TRANSITION SERIES BY QUANTUM COMPUTATIONAL METHODS

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MAGGIDI RAMANI, GOVARDHAN SREENANCHA, SRIKANTH NYAMTABAD

Abstract

In the present study the basic set B3LYP/ LanL2Dz level used and investigated 3d transition metal monoborides utilizing the density functional approach. The dimers, the lowest spin state, bond length, vibrational frequencies are calculated. These dimers' cation and anion are also investigated

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