Why does the ghost atoms gives error in NICS calculation with wb97xd in gaussian09 ?

In a trial, I am trying to calculate NICS (0 and 1) values for benzene ring using gaussian09. I have placed the ghost atoms at the center, 1A, and 2A above the rings. On using the method/basis...

19 January 2021 3,188 3 View

I've my Gold Nanorods in solution form and I have to conjugate them with drugs. Please go through description i have given?

I've my Gold Nanorods in solution form and I have to conjugate them with drugs. They remain in solution form after conjugation. Now for MTT assay for drug delivery on cancer cell lines, I am...

16 January 2021 3,992 1 View

No title

01 January 2021 5,831 1 View

How can we say as a plant native to a particular place?

Adorable experts, please enlighten me from this, on which basis we will say a plant native to a particular place. If is there any books or online webs suggest me. Thanks, advancially, With...

24 December 2020 918 14 View

How can I maintain a surface at isothermal condition, say at 300 deg Celsius.?

I have 6 heaters each of power 0.5 kW and mounted below a curved mild steel sheet of thickness 4 mm. The heaters and the below section is covered and insulated. I want the top surface to be...

05 November 2020 199 5 View

How to do marking of reference year in urbanization up sprawl mapping ?

I am performing mapping of urban up sprawl for 5 cities in Pakistan using advanced geospatial methods with satellite imagery for 25 years (1995-2020) with a 5 year interval. Can someone enlighten...

19 October 2020 6,097 3 View

Pharmacokinetic action of L-NAME (Nitric oxide synthase inhibitor)? is it short acting drug? how long thewaiting time to measure BP after given -NAME?

Hi..I would like to ask some questions to all the researchers who had experience using L-NAME ( L-NG-Nitro arginine methyl ester ) to induce hypertension in rats model. I had given L-NAME to my...

11 October 2020 4,959 3 View

Can anyone suggest some potential target proteins for anticancer docking studies?

The plant extract, I have been working on, has a potent anti-tumor effect proven by several in vitro and in vivo studies. Through, the direct effect of the extract on tumor cells is not explained...

11 October 2020 2,935 4 View

Can anyone please enlighten me, that what are free in silico toxicity prediction software/s available for academic purpose ?

Free toxicity prediction software based on genetic algorithm and deep learning of some training dataset #toxicity #Freesoftware #insilico #Deeplearning

30 August 2020 7,950 4 View

Any authors you can recommend that can enlighten me on how to apply philosophical assumptions to my study?

Chosen paradigm is interpretive

27 July 2020 5,384 3 View