Development of Computational Research Methods and Application in Chemistry

Authors

  • Deba Bahadur Khadka Tribhuvan University, Kirtipur, Kathmandu, Nepal

DOI:

https://doi.org/10.3126/nutaj.v5i1-2.23460

Keywords:

Computational research, Hartree-Fock calculations, density-functional theory, geometry optimization, electronic structure

Abstract

The development of computational research methods and its application in chemistry has been described in this paper. Based on theoretical review on computational research, the study applied experimental research method. The discussion of findings showed that, the development of computational research methods have both advantages and disadvantages that have clearly highlighted in this study.

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Author Biography

Deba Bahadur Khadka, Tribhuvan University, Kirtipur, Kathmandu, Nepal

Professor, Central Department of Chemistry

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Published

2018-12-31

How to Cite

Khadka, D. B. (2018). Development of Computational Research Methods and Application in Chemistry. NUTA Journal, 5(1-2), 72–78. https://doi.org/10.3126/nutaj.v5i1-2.23460

Issue

Section

Articles