Harjinder Singh
International Institute of Information Technology, Hyderabad
44 Papers
176 Citations
Harjinder Singh is an academic researcher from International Institute of Information Technology, Hyderabad. The author has contributed to research in topics: Density functional theory & Natural bond orbital. The author has an hindex of 11, co-authored 42 publications. Previous affiliations of Harjinder Singh include International Institute of Information Technology & International Institute of Minnesota.
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Papers
Enthalpy entropy compensation during thermal degradation of chlorophyll in mint and coriander puree
TL;DR: In this paper, the authors applied the modified transition state theory and Krug's unbiased statistical regression procedure to test the existence of thermodynamic compensation for chlorophyll degradation in coriander and mint leaf puree at pH 55-85.
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Quantum Chemical Studies of Structures and Binding in Noncanonical RNA Base pairs: The Trans Watson-Crick:Watson-Crick Family
TL;DR: This analysis shows that the hydrogen bonding characteristics and interaction energies obtained, correlated with the nature and type of hydrogen bonds between base pairs; but the occurrence frequencies, interaction energies, and geometric variabilities were conspicuous by the absence of any apparent correlation.
58
Binding of Gold Nanoclusters with Size-Expanded DNA Bases: A Computational Study of Structural and Electronic Properties
TL;DR: Binding of gold nanoclusters with size-expanded DNA bases, xA, xC, xG, and xT, is studied using quantum chemical methods and second-order interactions are observed.
42
A theoretical study on interaction of proline with gold cluster
TL;DR: In this article, the interaction of proline with gold cluster was studied using density functional theory (DFT) using two types of mixed basis sets UB3LYP/6-311++G ∪ LANL2MB and uB3lyp/6 -311++g ∪LANL2DZ were used for optimization of complex structures.
A Theoretical Study on Interaction of Small Gold Clusters Aun (n = 4, 6, 8) with xDNA Base Pairs
TL;DR: Detailed characterization of the effect of gold cluster size, aromaticity, and planarity using quantum mechanics based density functional theory (DFT) shows significant charge transfer is seen between the gold clusters and x-base pairs.
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