Is it justified to compare the free energy change of two reactions and conclude one is more favourable than the other?

Suppose we consider the binding of a ligand L to a metal M, M+L=ML and M+2L=ML2 . We compute the Gibbs free energy change for two reaction using DFT. But can we compare this two free energies to...

12 January 2021 5,893 4 View

How can i obtain electric displacement field in Piezoelectric bonded joint using Abaqus?

Mathematically, electric displacement is a vector quantity defined as {D}=([e]{E}+{P}), where {E} is local electric field, {P} is Polarization per unit volume and [e] is the third order tensor...

20 August 2020 4,789 1 View

How to calculate van der Waals radius theoretically?

I am trying to calculate van der Waals radius for silver atoms and ions. Could anyone explain the steps required to perform accurate calculations.

03 August 2020 2,574 3 View

How to align large plasmids (20Kb+) in Mac Vector?

I was trying to align 3 plasmids each around 20Kb in Mac Vector. I used the "Align to ref." tab followed by adding the sequences and then aligned them. However only a portion of each sequence is...

03 February 2020 2,635 1 View

How to do overlap PCR?

Hi I am trying to join two linear 1.2 kb fragments with overlaps. I read a protocol which says at least 1/2 of the PCR mix has to be the equimolar concentrations of the fragment. Why is so much...

30 May 2019 9,234 2 View

Is it possible to choose a site for setting a well using only remote sensing techniques and data ?

If I have only Microwave and Optical remotely sensed data, is it possible to choose the site for availability of ground water for set a pump or well so that it will reduce the chances of fail...

05 December 2018 3,372 13 View

How to create checkpoint file in molecular dynamics simulation?

Basically I want to save coordinates and momentum of atoms after n time step so that I can restart my calculation in case of an error or exceeding wall time. My MD code is in Fortran.

19 June 2018 8,262 5 View

What are the different approaches for seperate few layer graphene from graphite?

31 August 2017 1,378 4 View

Availability of Sugarcane yellow leaf virus antibody/antiserum from any private firm?

Dear all...is there any information regarding availability of Sugarcane yellow leaf virus antibody/antiserum. previously i use to procure from AC, Diagnostics, USA but now they have discontinued...

24 January 2017 4,333 3 View

Can we solve electrochemical field equations in comsol for electrochemical cell modelling?

required for ec cell modelling

03 June 2016 7,198 2 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

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

What is the production process of CaFe ferroalloys?

I looking for ferro calcium production process

03 March 2021 1,755 4 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

Do you know any MR image dataset?

I would like to research on MR images (0.5T and 3T). Can you please suggest some websites that I can download dataset including both 0.5T and 3T MR images? Thank you.

02 March 2021 7,735 3 View

Which is suitable for use with Python? MySQL or SQL Server?

Which is suitable for use with Python? MySQL or SQL Server? What is your suggestion?

01 March 2021 3,422 3 View

How to Eliminate cosine error and abbe error in LASER measurement system(for example Rhenishaw XL80)?

I like to do project in laser measurement system. My objective is to eliminate or reduce the cosine error, abbe error in Laser measurement system. I have Rhenishaw XL80 system. Please tell the...

28 February 2021 4,890 3 View