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The Journal of Physical Chemistry. A|May 17, 2011
Structural evolution and stability of hydrogenated Li(n) (n = 1-30) clusters: a density functional studySeema Gautam, Keya Dharamvir, Neetu GoelPhysical Chemistry Chemical Physics : PCCP|September 5, 2013
The structural and electronic properties of tubular gold clusters with a spinal supportPriyanka, Keya DharamvirJournal of Colloid and Interface Science|January 6, 2012
Controlling the density and site of attachment of gold nanoparticles onto the surface of carbon nanotubesSuresh Kumar, Inderpreet Kaur, Keya Dharamvir, et al.The Journal of Physical Chemistry. A|September 2, 2009
Structural, electronic, and vibrational properties of C(60-n)Nn (n = 1-12)Hitesh Sharma, Isha Garg, Keya Dharamvir, et al.Langmuir : the ACS Journal of Surfaces and Colloids|December 12, 2025
Adsorption and Sensing of Cyanide Gases over Transition Metal (Mn and Fe)-Decorated CrS<sub>2</sub> Monolayers: Insights from DFT and AIMD SimulationsSonam, Neetu GoelPhysical Chemistry Chemical Physics : PCCP|August 26, 2025
A transition metal (Ti, V, and Mn)-decorated CrS<sub>2</sub> monolayer as a propitious gas scavenger for SF<sub>6</sub> decomposition remnants: acumen from density functional theory simulationsSonam, Neetu GoelJournal of the Science of Food and Agriculture|December 9, 2017
Multi-walled carbon nanotubes applied through seed-priming influence early germination, root hair, growth and yield of bread wheat (Triticum aestivum L.)Anjali Joshi, Simranjeet Kaur, Keya Dharamvir, et al.Dalton Transactions (Cambridge, England : 2003)|November 25, 2024
The curious case of co-planarity in di-nuclear triel complexes: a density functional investigationMayank Khera, Neetu GoelChemical Communications (Cambridge, England)|April 12, 2026
From screening to stepwise lithiation: computational insights into Fe-porphyrin for Li-ion batteriesHemjot Kaur, Neetu GoelJournal of Molecular Graphics & Modelling|July 24, 2023
Encapsulation of heavy metal ions via adsorption using cellulose/ZnO composite: First principles approachShivangi Garg, Neetu GoelPageof 5