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

Does Tea Garden proves to be an alternative to forest landscape?

Is there possible that the Tea Gardens proves to be an alternative habitat to forest dwelling organisms? If yes, what pressure do they face in relation to anthropogenic pressure?

03 January 2021 429 13 View

How to run solver in Nektar++?

Hi! I am introducing myself very new to Nektar++ (https://www.nektar.info/) opensource code. I installed the code according to the user guide manual. The installing process shows success. --...

02 January 2021 8,977 3 View

Relating SOMO-LUMO gap and stability for a Open shell system (Unrestricted Calculation)?

It is well known that for a closed shell (all electrons are paired up) molecule, the HOMO-LUMO gap is related to its stability. However, I often see that the same argument is used for open-shell...

01 December 2020 6,771 4 View

How can we block ROS production in-vivo in mice?

I want to block ROS production in mice and, therefore, looking for probable inhibitory compounds/protocols. I would appreciate it if anybody shares his/her knowledge of this.

25 August 2020 7,265 4 View

Where to get dark networking data?

Hi, I want to study the dark network structure (social network for criminals). I want to study the network connections, important factors, significant leaders of the network. I already found one...

23 August 2020 4,239 3 View

How do I generate the residuals in STATA after a CCE-GMM estimation?

I used the following codes to use the CC-GMM estimator developed by Neal (2015). I have treated the immigration variable (LIMM) as the endogenous variable. I attempted to instrument the endogenous...

16 August 2020 9,999 4 View

Should I use the absolute value of a correlation coefficient?

I have calculated the Pearson correlation coefficient for two sets of values using excel. I got the value in the negative number. I know that the idea of getting a negative correlation means that...

24 July 2020 6,317 13 View

How to create lncRNA miRNA network?

Hi, I am trying to make a network between DElncRNAs and DEmiRNAs. Most of the DElncRNAs having NONHSAT, NONHSAG IDs. Is there any database or online tool which can map these IDs to miRNAs? I have...

10 April 2020 5,168 1 View

Puzzle1 Shake-hand Solution?

Hi All, As most of us are home quarantined and may not have enough chance to pump our brain muscles, herein I am introducing a brainstorming session, Puzzle Series. Just a bit refreshment within...

31 March 2020 7,111 3 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

Would fecal samples stored at -20C for over a year impact metagenomic analysis?

Dear All, I have access to some rodent fecal samples that have been stored at -20C instead of -80C. Anyone have experience with the impact of stowage condition on comparative metagenomic analysis...

01 March 2021 2,512 1 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