Inorganic Chemistry

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Questions related to Inorganic Chemistry

While doing docking using Autodock1.5.7, I am getting a warning that there are non integral charges on my ligand. How to remove it?

I used Autodock for docking, due to the non integral charges on my ligand I am not able to dock with the protein. How to dock the file?

09 June 2024 5,475 2 View

How do we perform C-axis misorientation analysis in MD simulation of single crystal HCP materials?

How can we use Ovito to do this. I have deformation behavior results from MD simulation under uniaxial tension and I want to see misorientation .

02 May 2024 7,091 0 View

Equilibration did not reached for 5ns . nstlim is 5millions ?

Hi everyone I try to perform equilibration on my system in AMBER16. I use pmemd.cuda and follow AMBER tutorials. This step is interrupted during execution and remains incomplete. also I have the...

22 March 2024 1,883 0 View

The code qe2boltz.py traceback error occurs during converting quantum espresso input into Boltztrap files?

the image of an error is attached to this questions below.

12 March 2024 4,104 1 View

How can I establish a bond (amine and carboxylic group) between plga and peg?

Hello, how can I establish a bond (amine and carboxylic group) between PLGA and PEG as a drug carrier? What is the problem with my work? please guide me The mixture containing PEG,...

19 January 2024 9,615 0 View

Which publishers have updated Impact Factor 2023 on their websites?

Some publishers like Sage and IOS have updated their journals impact factor on websites.

02 July 2023 6,292 0 View

TG/DTA for glass ceramic ?

in TG test , why sometime it's found increase in mass % with increase in temperature ? for glass ceramic .

16 November 2022 2,927 2 View

During UV characterization of Nano Particles synthesis, no peak is observed for sample calcined at 300 degree C, what can be the reason?

No peak is observed for the sample calcined at 300, 400 degrees C, but a peak with a shoulder is visible when I raised sintering temperature, which must be due to resulted compound I guess. But...

31 October 2022 6,418 3 View

How can we ensure 90% humidity in tri gas and co2 incubators ?

I need to know how can we ensure 90% humidity in co2 incubator and trigas incubator using eppendorf co2 incubator and cooper trigas incubator

31 July 2022 1,066 0 View

For covalently bound homonuclear diatomic ions of Nitrogen and of Oxygen is the adibatic aproximation still valid ?

David B. Beard and George B. Beard 1970 Quantum Mechanics with Application pps 214-217 states "it is reasonable ...proton masses >>> mass of the lone electron left." paraphrased. But...

16 May 2022 3,568 2 View

How can I separate vanillin and syringaldehyde by column chromatography?

I am trying to separate the vanillin and syringaldehyde with using silica 60 but I have not got success yet. With which solvents separation can be achieved and is silica 60 suitable for this...

02 March 2022 2,677 5 View

May I determine the band gap energy of hydrothermally synthesized MoS2 nanoparticles by Tauc plot method ?

Would it be ok? if I get absorption data simply by making slurry of MoS2 nanoparticles in water and then perform usual calculations in Tauc equation.

22 December 2021 7,493 7 View

Review publications of inorganic supramolecular chemistry?

Diamondoid networks, supramolecular self-assembly caused by ionic interactions-hydrocarbyls, amides, and phosphides.

15 June 2021 4,791 5 View

How Relativistic effects is one reason for lanthanide contraction?

The Lanthanide contraction which is the decrease in ionic radii of the elements in the lanthanide series from atomic number 57, lanthanum, to 71, lutetium, is due to poor shielding of the 4f...

02 March 2021 2,705 4 View

Ligands with 3,4,5-trihydroxyphenyl group?

Hi In the design of a bidentate ligand with imine group, is it okay to have a 3,4,5-trihydroxyphenyl group in the structure? In other words, does the 3,4,5-trihydroxyphenyl group compete with...

09 February 2021 5,164 7 View

Is it possible to prepare clay minerals by mixing pure oxides of required elements? What would be theoretical difficulties with it?

Practically this is not at all necessary. But theoretically, would hydrous/hydrothermal synthesis be enough (like mix 1 mole alumina gel and 4 mole silica gel and gently heat) or would it require...

27 January 2021 6,657 3 View

How to calculate the amount of NH3 to be added to get 2% N doping in TiO2 ?

To give nitrogen doping at various percentage how to calculate the amount of NH3 to be added to get various % of N doping in TiO2 ?

18 January 2021 6,038 9 View

Is there any special rule to find out possible room-temperature stable silicates' chemical composition, if not crystal structure itself?

Suppose one needs to find out room-temperature stable silicates chemical composition of a particular cation, suppose magnesium. Is there any rule to estimate which stoichiometric values of metal...

14 January 2021 7,585 4 View

How to choose dopants for different materials?

I want to work on Silver Niobate ferroelectrics. How to choose dopants to enhance its properties?

11 December 2020 4,843 2 View

PEG-PLGA nanoparticles?

Hello everyone I have a typical question. I am trying to add PEG 5K as a surfactant alongside PVP K25 to make PLGA NPs. I can't understand why when I am trying to wash the particles...

19 November 2020 8,903 1 View

Which model of the MQ gas sensor can detect Freon/CFC's gas?

I want to detect non-flammable (Freon / CFC's) gas using Arduino and MQ gas sensors. Please suggest me the model number of the MQ gas sensor through which I can do this.

08 October 2020 1,243 2 View

Why is there a need to acidify the solution before the precipitation of Lead as Lead Chromate?

I am confused at my inorganic chemistry class D:

04 October 2020 1,351 8 View

Which method is most appropriate for landfill site suitability analysis?

Please suggest some integrated methods for the landfill site suitability analysis for Municipal solid waste?

01 October 2020 8,667 3 View

How do you treat solid waste in a landfill without taking it out ?How do we treat leachate in landfill without taking it out?

Is there any possibility to treat leachate and solidwaste in landfills when they are still in the landfills. Please list the techniques . Thanks in advance

04 August 2020 4,082 6 View

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