Vinuthaa Murthy


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Personal profile

Research interests

Vinuthaa’s research focus is on applying Computational and Analytical Chemistry techniques to solve the structural properties of a range of Inorganic molecules to Nanoparticles. She has applied molecular dynamics and quantum chemistry in combination with analytical techniques to gain atomic level understanding of the structures of metal carbides and Group 13 hydrides and interactions of Zeolites and Layered double hydroxides with various ionic solutions.  Her current research focuses on characterization of nanoparticles conjugated with native plant extracts with application in medicinal and to waste water treatment.

Education/Academic qualification


… → 1 Oct 2004

Master, Bangalore University

1 Jul 198630 Jun 1988

Bachelor, Bangalore University

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Zeolites Chemical Compounds
Molecular modeling Chemical Compounds
Isomers Chemical Compounds
Nanoparticles Chemical Compounds
hydrotalcite Chemical Compounds
isomers Physics & Astronomy
Hydroxides Chemical Compounds
Gallium Chemical Compounds

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Research Output 2000 2020

  • 11 Article
  • 1 Chapter
  • 1 Conference Paper published in Proceedings
  • 1 Conference paper presented at Conference (not in Proceedings)

Evaluation of DFT methods to calculate structure and partial atomic charges for zeolite N

Murthy, V., Khosravi, M. & Mackinnon, I., Jan 2020, In : Computational Materials Science. 171, p. 1-8 8 p., 109225.

Research output: Contribution to journalArticleResearchpeer-review

Bond length
Discrete Fourier transforms
Generalized Gradient
Structural Parameters

The exchange mechanism of alkaline and alkaline-earth ions in zeolite N

Khosravi, M., Murthy, V. & Mackinnon, I. D. R., 10 Oct 2019, In : Molecules. 24, 20, p. 1-17 17 p., 3652.

Research output: Contribution to journalArticleResearchpeer-review

Open Access
Earth (planet)

Molecular Modeling of Univalent Cation Exchange in Zeolite N

Murthy, V., Khosravi, M. & Mackinnon, I., 24 May 2018, In : The Journal of Physical Chemistry C: Energy Conversion and Storage, Optical and Electronic Devices, Interfaces, Nanomaterials, and Hard Matter. 122, 20, p. 10801-10810 10 p.

Research output: Contribution to journalArticleResearchpeer-review

Molecular modeling
Ion exchange
Positive ions

Synthesis and characterization of gold-conjugated Backhousia citriodora nanoparticles and their anticancer activity against MCF-7 breast and HepG2 liver cancer cell lines

Khandanlou, R., Murthy, V., Saranath, D. & Damani, H., Mar 2018, In : Journal of Materials Science. 53, 5, p. 3106-3118 13 p.

Research output: Contribution to journalArticleResearchpeer-review

Reducing Agents
22 Downloads (Pure)

Analysis of constituents in different Fractions collected during distillation of Cardamom oil for flavour and fragrance applications

Mani, B. K., Murthy, V., Boland, M. & Yee, K., Jan 2017, In : Journal of Applied Pharmaceutical Science. 7, 1, p. 177-183 7 p.

Research output: Contribution to journalArticleResearchpeer-review

Open Access


Theoretical predictions of Group 13 hydrides

Author: Murthy, V., 2004

Student thesis: Doctor of Philosophy (PhD) - CDU