How Relativistic effects is one reason for lanthanide contraction?

The Lanthanide contraction which is the decrease in ionic radii of the elements in the lanthanide series from atomic number 57, lanthanum, to 71, lutetium, is due to poor shielding of the 4f...

01 March 2021 2,272 4 View

What is the best way to calculate sample size for a multivariate regression model for adequate power?

GPower is only equipped to deal with calculations of bivariate regressions and needs SD s for both predictor samples. However, if one has a multiple regression with more than 2 outcome variables...

12 February 2021 6,911 3 View

How Marcus free energy, reorganization energy is related to thermal effect for electron transfer state?

The molecules separation medium is associated to medium permittivity of Frenkel effect and naturally diverse environmental temperature may influence the electron transfer process in organic...

02 February 2021 5,168 3 View

Alpha synuclein lack structurw (i.e some of the helix part goes into turn ), any cause behind this?

I am trying to simulate alpha synuclein (1xq8.pdb) in GROMACS using GROMOS53a6 ff. I have run it for 200 ns. At the end of simulation alpha helix protein losses its helical structure. I am not...

31 January 2021 4,285 3 View

In which laboratory of India 13C NMRanalysis of solid samples could be performed?

I need to analyse some solid samples (soils) for 13C NMR. Is there anyone who can help me out? The contribution of the contributor would be properly credited during any sorts of publication....

07 January 2021 2,016 4 View

Why the presence of surface active compound repress the mass spectra of other compound? If the sample is itself surface active, then self repression?

I am assuming the resulting insertion/agglomeration in the presence of a surfactant or the agglomeration of surfactant may reduce the rate of ionization. The mobility of the ion may also be...

07 January 2021 987 5 View

What are the mental health insurance policies in different countries?

Post Covid 19 the scenario in India has changed and some of the private insurance companies are providing coverages for mental disorders. So My question is what mental disorders are covered in...

04 January 2021 6,474 10 View

In a microgel-DTPA suspension (in water), what can be added as a counter to TMEDA to adjust its pH to 6?

I have added a little extra TMEDA to the microgel-DTPA suspension and has reduced its pH. How can I bring it to pH 6?

04 January 2021 6,743 1 View

Does posting articles to Research gate gives any edge or credit to a student in Phd application?

Does posting articles to Research gate gives any edge or credit to a student in Phd application?

07 December 2020 4,001 3 View

Where to get free cancer patient demographic data?

Is there any freely available global repository to get cancer patients' demographic data? #cancer #cancer_research

06 December 2020 5,469 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

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

what is the simplest definition of ion exchange capacity

What this unit identifies for the ion exchange capacity ca. 0.92 meq. g-1. I am a newcomer in the membrane area. I just started. I highly appreciate your help

08 May 2021 0 0 View

what is the simplest definition of ion exchange capacity

What this unit identifies for the ion exchange capacity ca. 0.92 meq. g-1. I am a newcomer in the membrane area. I just started. I highly appreciate your help

08 May 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