How to remove DCU and HOBT from my reaction?

I am doing a acid and a chiral amino alcohol reaction using DCC and HOBT in DCM or THF? Can anyone suggest me how to remove DCU and HOBT from a reaction mixture??

28 February 2021 2,153 1 View

Why it is required to optimize a unit cell generated from cif lattice parameters and atomic coordinates during ab initio solid state calculations?

A cif file represents a unit cell with minimum energy. My question is, in the start of any ab initio calculation for unit cell generated from the cif file, why we are advised to optimize cell...

19 January 2021 9,883 3 View

How to calculate IR and RAMAN spectra form Born charge ?

I am using crystal 17 for my solid state ab initio calculations. For some reason the program is not able to produce the Raman spectra but have generated born charges. Is there any way to produce...

11 January 2021 2,317 2 View

Why high infiltration in OM treated plot?

We are carrying out trial in the glasshouse where we are comparing the infiltration rate in sodic soil in two different treatments Polyacrylamide vs organic matter ( lucerne pellet). within 27...

25 November 2020 8,787 3 View

Can someone help me with the error in crystal17 output ?

I am a new user to crystal 17 (https://www.crystal.unito.it/index.php). I was trying to optimize a molecule using crystal17 but it is throwing following error: "ERROR **** INPUT3 **** n-D...

19 October 2020 5,211 2 View

Can you suggest any book to learn material simulation via density functional theory?

I am new to material simulation and I am willing to learn the theoretical aspects like what is k point mesh, how to interpret band diagram, how born charge results in IR spectra etc. I have...

29 August 2020 1,173 8 View

I am having problems in removing m-cpba and its corresponding acid ?

I am doing alkane oxidation using m-CPBA as oxidant in DCM. How can I remove the oxidant and its corresponding acid (m-CBA) from my reaction mixture? I also did aqueous work-up using NaHCO3 and...

13 August 2020 8,290 3 View

What are the alternative way to identify the stem cells present in cord blood??

commonly used practices for the identification and characterization of the kind of cell in cord blood other than Flowcytometry and reverse-transcription polymerase chain reaction (RT-PCR).

08 August 2020 6,881 3 View

Why Nepal's agriculture sector growth is staggering?

Agriculture is the major contributor to the national economy, livelihood and employment since long. However, despite the priority in the national policies, the growth of the agriculture sector is...

05 June 2020 1,079 2 View

VCF File SNP Analysis ??

Hello all, I have 60 samples of Whole Genome Sequence (BAM, VCF ) File. Now I want to do SNP analysis ( I am trying to find some positions which differ among case and Control ). I did with...

30 May 2020 980 4 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

Research on Supply Chain Management in Indian context?

Hi, I am planning to apply for the PhD degree in the Supply Chain Mgt. with specific area of "Cold Storage warehouses" during Pandemics and wars. Where lock downs and shut downs are frequent....

02 March 2021 285 2 View

Can you share me how teacher education is managed in your respective national educational system?

I feel that the practice in teacher education in my country is below the expected performance level due to very poor management system. Hope I will learn something from your experiences.

02 March 2021 1,516 4 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