What is difference between In-line transmission (%) and Total transmission (%) value of optically transparent Ceramics?

I am working on transparent/translucent zirconia-based ceramics. In many papers, I have seen that they are reporting both In-line transmission (%) & Total transmission (%) value of...

20 February 2021 9,405 6 View

Access to supercomputer resources in India?

Hello everyone, I want to perform some gaussian calculations and want to use Materials studio for my research work. Can anyone guide me how to get access to supercomputer resources in India for...

15 February 2021 8,264 3 View

Can I use video interview excerpts from others in public domain (YouTube, Vimeo, etc) for my empirical analysis?

Dear community, I am currently writing my master's dissertation. As a part of the method, I have to include views (interview) of experts for the empirical analysis. The problem is I have not...

31 January 2021 3,438 3 View

What is the use of Carbon and Proton NMR Spectrum in Peptide Analysis?

Am in Peptide / Protein Research, may i know what useful analytical information we are getting from 13C & 1H NMR spectroscopy analysis? Somebody getting NMR for smaller proteins, any useful...

05 January 2021 1,196 7 View

Will these existing vaccine be effective to this new corona variant?

Suggest some good articles on Genomics of this new COVID strain.

03 January 2021 7,635 13 View

I am amplifying my target region through PCR, but I am getting number of unwanted band also with my target region...Why?

I have checked annealing temperature through gradient PCR. I have checked my primer in NCBI. I have checked PCR reagents concentration. Please suggest me anyone thanks

12 December 2020 1,969 2 View

How can I solve the structure using powder xrd?

Please guide me in solving the structure and preparing a CIF file out of the results, I have only powder xrd data which I have attached here. I already have EXPO2014 and fox. Both these software...

06 December 2020 641 8 View

How to include two different molecules in one Crystal Information File and define the hydrogen bonds between them?

Hello everyone, Please help me to create a CIF with two different molecules which are linked through hydrogen bonding in the same crystal lattice. I am attaching an example to understand what I...

16 November 2020 8,056 3 View

Gaussian calculations using sdf file downloaded from chemspider or pubchem?

Is it possible to perform gaussian calculations using molecular structure downloaded from chemspider or pubchem? The active pharmaceutical ingredient I am working has complex structure and I am...

29 October 2020 3,942 3 View

What is RRT and RRF in HPLC? How RRF calculated in HPLC analysis?

In high pressure liquid chromatography (HPLC), the compound is injected through a column of different sized beads.The amount of time it takes for the compound to pass through the column is the...

21 October 2020 8,801 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

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