How to predict the reaction pathway for electro organic synthesis?

Can anyone recommend some any software/models available that can predict substance reactivities and the reaction yield under a specific set of reaction conditions process and proposing pathways to...

17 February 2021 2,383 3 View

Paleontology and nanotechnology, what we can do?

Can anyone answer the question: Are there possibilities to paleontologists to use nanotechnology for solving problems related to different areas of their research?

06 December 2020 5,335 3 View

How I can separated aluminum sulphate from nickel sulphate solution. I am working on spent randy nickel after hydrogenation of vegetable oil ?

Current I am using calcium hydroxide but at higher pH it make gel type material

09 November 2020 3,321 3 View

I want to design a equivalent circuit for series feed network...can any one provide me something useful?

I couldn't find it in any books and articles. I want to series feed two-slot antenna arrays but it is not giving me enough bandwidth. I want to design an equivalent circuit for the series feed...

19 October 2020 4,664 3 View

Kindly, help me in molecular docking. What is mean (Average number of poses per run)? and it is favorable to be high (10) or (6)?

Complement of the day, Kindly help me to understand poses per run and its importance to increase the activity of compound or decrease it. my greetings,

28 September 2020 9,194 2 View

How Geochemical models help in solution chemistry in the experiment?

Added Si to nutrient solution carrying metals and mineral nutrients under acidic conditions, therefore, it's necessary that they provide evidence that Si addition does not cause pH fluctuations...

26 September 2020 7,706 2 View

No title

20 September 2020 3,125 3 View

Which step prefer to do centrifuge in plant extracted?

Some types of plant herbs were extracted with alcohol in order to obtain their pigments and add specific chemicals materials to obtain their nano scale features ... The question is, are they...

30 August 2020 4,718 4 View

How to do CHARMM to GROMACS conversion?

I have generated a .str file from .pdb file using CGenFF server. But whenever I try to convert the .str file to gromacs specific topology using: python3 cgenff_charmm2gmx_py3_nx2.py JZ4...

24 August 2020 3,593 3 View

During ligand preparation I obtained CHARMM format file from CGenFF and now i want to get gromacs format file. Why following error occurs ?

Command: python cgenff_charmm2gmx.py jz4 jz4_fix.mol2 jz4.str charmm-mar2019.ff Error: Traceback (most recent call last): File "cgenff_charmm2gmx.py", line 47, in import networkx as nx...

20 August 2020 4,869 5 View

error in running a model in Abaqus

Excessive rotation of nodes in node set ErrNodeExcessRotation-Step1

17 August 2021 0 0 View

error in modelling model in Abaqus

Excessive rotation of nodes in node set ErrNodeExcessRotation-Step1

17 August 2021 0 0 View

MGL tools

20 June 2021 0 0 View

i have some problem with chtMultiRegionSimpleFoam

--> FOAM FATAL ERROR: Maximum number of iterations exceeded From function Foam::scalar Foam::species::thermo::T(Foam::scalar, Foam::scalar, Foam::scalar, Foam::scalar (Foam::species::thermo::*)(Foam::scalar, Foam::scalar) const, Foam::scalar (Foam::species::thermo::*)(Foam::scalar, Foam::scalar) const, Foam::scalar (Foam::species::thermo::*)(Foam::scalar) const) const [with Thermo = Foam::hConstThermo >; Type = Foam::sensibleEnthalpy; Foam::scalar = double; Foam::species::thermo = Foam::species::thermo >, Foam::sensibleEnthalpy>] in file /home/ubuntu/OpenFOAM/OpenFOAM-4.1/src/thermophysicalModels/specie/lnInclude/thermoI.H at line 66. FOAM aborting #0 Foam::error::printStack(Foam::Ostream&) at ??:? #1 Foam::error::abort() at ??:? #2 Foam::heRhoThermo >, Foam::sensibleEnthalpy> > > >::calculate() at ??:? #3 Foam::heRhoThermo >, Foam::sensibleEnthalpy> > > >::correct() at ??:? #4 ? at ??:? #5 __libc_start_main in "/lib/x86_64-linux-gnu/libc.so.6" #6 ? at ??:?

24 March 2021 0 0 View

How to compare two groups with only two measurements?

Hiiiii everyone! I have an enquiry on statistical analysis. I was looking for many forum and it's still cannot solve my problem. I want to compare means of two groups of data but only with two...

03 March 2021 8,796 3 View

What's the best way to measure growth rates in House sparrow chicks from day 2 to day 10?

What's the best way to measure growth rates in House sparrow chicks from day 2 to day 10? Since, the growth curve from day 2 to 10 won't be like the "Logistic curve" it might not follow logistic...

03 March 2021 1,401 3 View

How to increase a model accuracy ?

dear community, my model is based feature extraction from non stationary signals using discrete Wavelet Transform and then using statistical features then machine learning classifiers in order to...

03 March 2021 6,994 5 View

1. What is the impact of having different scales in a survey? and how can we solve this problem before and after data collection (Literature)?

1. What is the impact of having different scales in a survey? and how can we solve this problem before and after data collection (Literature-based reflection)? Thank you for your time and for...

03 March 2021 2,870 3 View

Resistor definition in Piezoelectric bimorph with ANSYS workbench

Hello, good day! I am trying to simulate similar bimorph piezoelectric harvester with below commands. However, the output power doesn't change with resistor value. Please help to find the reason. ET,10,CIRCU94,0 !SET UP RESISTOR R,1,100000 !RESISTANCE VALUE TYPE,10 !SET ELEMENT TYPE E,1,2 !CREATE RESISTOR BETWEEN NODES 1 AND 2 Thanks in advance Regards,

02 March 2021 0 0 View

What degree of missing data in a particular case/participant results in Expectation-Maximisation no longer working?

I'm dealing with a mediation model and am using the PROCESS module in SPSS. Due to SPSS and PROCESS being limited in the imputation methods - being unable to handle multiple imputation - the other...

02 March 2021 4,362 1 View