How to solve "Ligand is not a single fragment" error in discovery studio?

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Why photocurrent response for TiO2 is more than core-shell nanoparticles under halogen lamp?

I'm working on photoelectrochemical water splitting, and the material is core-shell nanoparticles with a TiO₂ shell and a ferrite core. The films of the core-shell nanoparticles were prepared...

05 July 2024 4,275 0 View

Which light source should be used for photocatalytic water splitting?

I'm working on photocatalytic water splitting and the material is ferrite. The absorption edge of the material is at 700 nm. So which lamp should I use? halogen lamp or Xenon light source?

24 June 2024 6,831 5 View

Why Hydrogen is not detecting in GC?

I'm working on photocatalytic water splitting, and the material is zinc ferrite. After the light exposure to the photocatalyst solution, the produced gas was collected using water displacement and...

08 June 2024 1,248 3 View

How to write an article ? Give writing method step by step ?

13 April 2024 1,479 3 View

Exploring the problems of the Research Scholars will be Human Resource Research or Academic Research?

I am writing about the Ph.D. pursuing research scholars in the HR domain regarding the problems faced in finding and publishing their research articles in Scopus Indexed Journals only. I have...

17 December 2023 3,911 3 View

Are "Research Scholar" of an University considered as a student or employee?

I need to a topic For an HR conference on the theme of Academic Management. To clarify the role of research scholars and their ethics.

15 December 2023 7,567 4 View

Is it possible to do a regression analysis with qualitative dependent construct and quantitative independent constructs?

I have qualitative data for Managers' Emotional Intelligence (dependent variable) and quantitative data for Employee behaviour and performance (independent variables).

29 November 2023 4,676 4 View

What should be my sample size?

I am a Research Scholar from INDIA. Doing my research in Human Resource Management. I am currently working on a research about the Manager's Emotional Intelligence influences the Service...

29 November 2023 3,353 4 View

Impact factor of Journal of Pharmaceutical Research International?

11 August 2023 4,115 4 View

How can i start a research about patient-dentist trust relationship?

1. Ideas in points will be appreciated 2. Methodology will be greatful.

17 March 2023 6,928 4 View

I have get this error when i calculated the geometrical optimization for prco3, it takes 12 hours until gives this message in the outputfile?

Fatal error in MPI_Allreduce: Other MPI error, error stack: MPI_Allreduce(1628)......: MPI_Allreduce(sbuf=000002459254A180, rbuf=000002459F86A140, count=4851, MPI_DOUBLE_COMPLEX, MPI_SUM,...

09 August 2024 7,614 1 View

How do I replace a file with a more recent version of a paper that was uploaded to ResearchGate?

The paper in question is "Interpolation of Nitrogen Fertilizer Use in Canada from Fertilizer Use Surveys". This paper was very recently published by Agronomy (MDPI). Agronomy has, in the last day...

07 August 2024 9,933 3 View

Is it possible to plot the atom-projected band structure using GPAW?

Hi, I'm currently working on a project where I need to plot the atom-projected band structure using GPAW. I've been able to calculate the band structure for my material, but I'm having trouble...

07 August 2024 267 3 View

How to solve g_mmpbsa error?

Program: g_mmpbsa, version 2024.1 Source file: extrn_apbs.cxx (line 152) Fatal error: Failed to execute command: $APBS pybYcUWA.in --output-file=pybYcUW.out

07 August 2024 6,066 0 View

Why does everyone use vs code?

Visual Studio Code (VS Code) has become a popular choice among developers for several reasons: 1. **Free and Open Source**: VS Code is free to use and open source, making it accessible to...

07 August 2024 7,012 4 View

How do you delete a duplicate pdf for the same paper on ResearchGate?

The first pdf file I uploaded had an error. So I uploaded an updated, corrected pdf of that paper with a different pdf name. I dpon't want the old copy to be download or read.

07 August 2024 9,506 1 View

AUX gas reading problem on QE with full MS and PRM method in one run?

Dear QE-users, In the method where full MS positive mode and PRM mode are used, we always get an incorrect auxiliary gas reading (41 instead of 25). This only happens in this method; other...

06 August 2024 4,952 0 View

Are there instances where molecules with larger molecular weights exhibit greater mobility than those with smaller molecular weights?

Hi, I know that low molecular weight (MW) molecules generally tend to have higher mobility, while high molecular weight molecules tend to have lower mobility. However, in my experimental...

06 August 2024 1,494 2 View

For an in-vitro drug release study, what molecular weight cut-off (MWCO) dialysis bag is required for a 117 kDa protein?

kindly reply me. Thanking you in advance.

05 August 2024 7,726 4 View

How to Add Missing Water Molecules in Protein-Membrane Simulations?

I have protein-membrane simulations (PDB, PSF, DCD) and have noticed that water molecules near the protein are not visible in the simulations. How can I fix this issue? Is there a way to place the...

04 August 2024 1,200 2 View

Rezvan Marjani

probably The extra bonds suggest that your bond lengths are too short.

Sometimes, this is seen if a 2D sdf has been download instead of the energy-minimised 3D sdf file.

Ammar Elmezayen

Sudarshan Lamichhane

This post discussed a similar issue. Hope it helps.

https://www.researchgate.net/post/Ligand_is_not_s_single_fragment_on_BIOVIA_discovery_studio_What_do

Riaz A. Khan

Check the structure again!