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

Authors

MAGGIDI RAMANI Author
GOVARDHAN SREENANCHA Author
SRIKANTH NYAMTABAD Author

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

Published

2022-01-01

Issue

Vol. 11 No. 9 (2022)

Section

Articles

How to Cite

METAL OXIDE MONOBORIDES OF 3D TRANSITION SERIES BY QUANTUM COMPUTATIONAL METHODS. (2022). International Journal of Food and Nutritional Sciences, 11(9), 4573-4577. https://ijfans.org/index.php/Journal/article/view/10202

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