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I am trying to do geometry optimization calculation of a mononuclear coordination complex. I am trying to do alignment of the complex in arguslab (a supported service pack for molecular...
05 June 2013 6,714 0 View
What is the role of Grid3 for convergence in a Geo Opt in ORCA Broken symmetry calculation?
05 June 2013 2,783 15 View
How we can locate a single electron spin on a particular metal center in a transition metal coordination complex by broken symmetry DFT by using ORCA?
05 June 2013 7,739 4 View
In the stabilization of AgNPs are vital in current research interest. However, some of the 2D nano-materials like graphene oxide, MoS2, etc... previously used to stabilize it. But still they shown...
01 March 2021 2,207 3 View
Nanotechnology in concrete materials
01 March 2021 3,379 3 View
I'm Juan Carlos, a high school student who is working with electropinning, I made an electropinning machine with a 21g needle and a 30kv high voltage source and the distance between my needle is...
28 February 2021 298 3 View
Suggest me the method or some other software to calculate the above said data for nanoparticles.
21 February 2021 3,350 7 View
Unlike graphene, it is usually very difficult to exfoliate few layers (~10 nm thick) of hBN on SiO2 substrate due to lip-lip interaction at the edges. Au substrates have been proven very useful...
16 February 2021 2,635 2 View
Dear esteemed researcher, Please, suggest recent literature links related to photocatalytic applications of nanomaterials. Regards, Dr. Vinaya Tari
26 January 2021 3,930 9 View
Even after few repetitions..I am getting similar results. Is is due to organic components?
20 January 2021 9,279 6 View
Nanobubbles of air in water tend to have a negative charge. Intuitively, one could think the water is not charged, air is not charged: why are nanobubbles charged? Looking closer, water has both...
14 January 2021 3,563 3 View
There are different nanostructures of silicon like nanotubes, QDs and silicene. I need to know what are the 'green' or other effective methods for preparing them..please share the procedures of...
10 January 2021 3,418 1 View
if we are taking 2 materials of different concentrations (one is the precursor and the other one is the stabilizing agent) for synthesizing nanoparticles as a catalyst, how can I calculate the...
08 January 2021 516 4 View
