How can I calculate the rdf of water molecules around 'Na' ions that are closest(adsorbed) to the nanoparticle(solute)?

Hi, I want to calculate the radial distribution function for water molecules around the Na+ ions adsorbed on the surface of a spherical nanoparticle using the gromacs trajectory dynamically? For...

28 February 2021 5,650 1 View

Monte Carlo simulation?

Hi, i am conducting a Monte Carlo simulation for my new distribution but the MSE values are increasing while the sample size increase, does any experience this issue before and what should i do...

22 February 2021 3,680 4 View

Is There are any idea to achieve H NMR signals for swollen compound ??

the samples are not completely soluble - just swelled the solvents that's mean the sample may be partially soluble any suggestion, please

16 February 2021 8,801 3 View

Are there any papers that deal with the effects of climate change on the pollination in Tropical orchids?

There are a few papers dealing with the effects of climate change on the pollination of European orchids, but I wonder if similar studies have been carried out in the Tropics.

04 February 2021 1,818 4 View

How to report path analysis / SEM with Yuan-Bentler correction from R output?

Dear all, I am currently writing my master thesis where I am analysizing my data using path analysis and SEM in R (lavaan package). Now that I like to write up my results, I am struggling with...

04 February 2021 8,993 2 View

Is there a way to get rid of TEA in a TLC plate in order to do proper staining?

Dear colleagues: I have been trying to establish a few HP-TLC methods in the lab. In general, for quantification purposes, I prefer CuSO4+acid charring, to primuline staining. Lately I have been...

20 January 2021 9,019 1 View

What is corrct way to define ports when simulating FSS and surface waves in CST?

I need to simulate a mushroom FSS and I'm struggling with the ports. What's the correct way to define them? Should I construct a proper SMA connectors, or is it enough to put a waveguide ports...

19 January 2021 6,590 4 View

Connection between Matlab and visual studio?

i am working in transfer of images between two computer . I don't know how to make connection between Matlab and visual studio . i used a visual basic for programming my controller. Can anyone...

31 December 2020 6,708 4 View

What are the inhibitors or chemicals which prevent the amplification of plant DNA? How they can be remove?

While doing amplification with Primers ( which already gave good amplification in same genus), it fails many time, eventhough the extraction has enough amont of DNA.

31 December 2020 5,649 4 View

What is holding back the computing power of modern computers..?

The last decade witnessed a tremendous use of computational power for various applications such as deep learning, MD simulations, and astrophysics. Is quantum computers really going to take the...

31 December 2020 1,396 2 View

Which peak should I consider when calculating ZIF-8's crystalline size from XRD?

Hello, Using the Scherrer's equation, one could calculate, roughly, the crystalline size of ZIF-8. However, I am confused as to which peak in the XRD pattern should be taken for the calculation?...

10 January 2021 8,633 3 View

Why metal-organic frameworks (MOFs) require heating (thermal annealing) stage during the fabrication process?

Hello, I'm interested in MOFs these days, so studying the fabrication processes. It seems that most of the processes include heating (thermal annealing, typically > 110 Celsius degree) steps,...

28 October 2020 9,426 5 View

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21 October 2020 7,860 3 View

Contributions to Nanomaterials Special Issue "Porous Metal-Organic Framework Nanoparticles"?

20 October 2020 248 2 View

Is This MOF Method Possible?

Hello, I need to impregnate the pores of a MOF with cu(acac)2, which I will then reduce under vacuum to copper nanoparticles. I plan on using the incipient wetness approach to do so. However, my...

01 July 2020 8,949 4 View

Who has done room-temperature synthesis of nanoscale ZIF-90 in water?

Hi, I'm trying a procedure to synthesis nano ZIF-90 in water for specific application, but there is some problem. pxrd pattern for as-synthesized MOF is not completely compatible with...

29 May 2020 9,435 5 View

Are you working on MOFs for CO2 RR?

I am currently drafting a review to include studies on the MOFs based materials for CO2 electrochemical reduction. Papers interested include: 1) fundamental studies on the stability, selectivity...

12 March 2020 5,160 3 View

Does the phenomenon of MOFs dissolved in solvents necessarily mean that the crystal structure of the MOFs has been damaged?

When preparing Pd@MOFs catalysts via wet impregnation, I added carbon-dots solutions (synthesized from citric acid and ethylenediamine) into MOFs suspension in an attempt to facilitate the...

11 December 2019 2,721 3 View

When introducing -NH2 into MOFs, what's the difference between using NH2-functionalized organic linker and post-synthetic modification?

To make my question clear, let me give a specific example for discussion. UiO-66-NH2 is synthesized with 2-NH2-BDC as organic linker. In comparison, UiO-66 can be synthesized with BDC as organic...

11 December 2019 2,360 1 View

How to interpret the changes in BET surface area and pore volume before and after metal loading?

As the figure shows, the BET surface area of Pd/MOF samples decreases while the pore volume increases compared with those of MOF precursors. The decrease of SBET could be caused by the...

11 December 2019 1,689 8 View