How to remove Cu2O after the end of a reaction?

Hello Everyone, I am using Cu2O as an oxidizing agent in a reaction, however in the procedure given for this synthesis, the author simply mentioned "filter the product to remove Cu2O ". I am...

11 December 2018 7,315 10 View

How to obtained the Ipa and Ipc other parmeter of a CV graph manually in EC-Lab software used on the BioLogic elechtrochemistry workstation?

05 June 2017 1,795 3 View

No title

05 June 2017 6,870 1 View

Why the voltage of cyclic voltametry increases durin electropolymerization?

03 April 2017 6,507 5 View

How to instal Quantum Espresso on windows?

Dear All, I is greatly appreciated if someone help me to install Quantum Espresso on windows 7?

31 December 2016 1,269 9 View

What is the difference between 10^-24 CM^3 and esu unit ?

08 September 2016 559 0 View

A DFT code for the optimization of attached structure?

Dear All, Is there any DFT code (license free) that I can use for the optimization of the attached structure? I have tried it by Gaussian but after passing some days, it does not finished...

07 August 2016 2,514 9 View

I need a 3D structure of Chitosan polymer?

As part of my research I do need the 3D structure (preferebly the CIF or things like that) of Chitosan polymer that represents the bond lengths, angles and torsions. I am wondering if someone can...

07 August 2016 3,476 9 View

Analysis of sodim gluconate using USP monograph?

Dear all, I am analyzing sodium gluconate using USP monograph "http://www.pharmacopeia.cn/v29240/usp29nf24s0_m76600.html" Using the assay section I analyzed the sodium gluconate but I did not...

04 May 2016 7,051 2 View

PyQuante and Python starting guidlines?

Dear All, I am a beginner in programming using PyQquante and Python. I want to do DFT and other possible codes using these softwares. I would be grateful if someone help my in this regard?

03 April 2016 5,720 1 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

MD MOE RMSD

How to calculate the RMSD values for a MD simulation using MOE?

07 August 2021 0 0 View

MD MOE RMSD

How to calculate the RMSD values for a MD simulation using MOE?

07 August 2021 0 0 View

MGL tools

20 June 2021 0 0 View

fatal error

When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.

16 June 2021 0 0 View

fatal error

When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.

16 June 2021 0 0 View

fatal error

When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.

16 June 2021 0 0 View

fatal error

When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.

16 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