How or where can I get the crystallographic information file (CIF) for PCN-222 MOF?

I need the simulated XRD pattern of PCN-222 to compare with experimental data. Thanks.

19 February 2021 4,932 3 View

How can I obtain the expansion orbital coeffiecients in Hartree Fock program?

23 December 2020 6,756 3 View

4D rotations and rotors.. can a general expression be derived?

I recently asked in math stackexchange a question regarding 3D rotations in geometric algebra https://math.stackexchange.com/questions/3922021/angle-and-plane-of-rotation-in-3d-geometric-algebra....

07 December 2020 5,630 26 View

How to compute pressure drop on liquid ammonia line?

I have to analyze an existing ammonia line to estimate the pressure drop in it. The line is designed to transport liquid ammonia. I can compute the pressure drop with standard friction factor...

21 November 2020 5,494 3 View

Does anyone know of a qualitative research article that addresses the role of the CEO and/or Top Management Teams in ambidextrous strategies?

I am interested only in papers with a qualitative approach to explore the link between personality of top management team human resource management (including the CEO) and open innovation. Thanks...

19 November 2020 1,785 7 View

In R software, how to restrict geographical area only to the coastline / intertidal zone?

Hello all! I'm trying to conduct an SDM analysis in R regarding a species which only occurs in the intertidal area. I need to be able to restrict my geographical range to a range of points in...

13 November 2020 351 9 View

It is said that Faith and Science are frontally confronted, a good Scientist cannot be a Believer or practice any Religion or Religious Belief?

The relationships between Science, Beliefs and Faith have always generated a heated debate (which has reached popular opinion) leading to think that they are irreconcilable concepts and that a...

26 October 2020 2,389 99 View

SDM and intertidal species?

Hello all. I have a technical question regarding species distribution models on intertidal species. The main issue here is the fact although the species in question are associated with intertidal...

12 October 2020 2,108 2 View

Hot to convert s-1 to cm3 molecule-1 s-1 in kinetics?

Hi all, I have a conversion problem with rate constant calculations. My start point is the isoprene molecule with a chlorine atom bond to C1. I want to obtain the rate constant of: isoprene +...

27 September 2020 3,192 3 View

Should antiandrogens and / or TMPRSS2 protease inhibitors be given in adult patients without prostate cancer and also in women? Only in men? Never ?

As we know, not long ago the WHO named Wuhann Pneumonia (SARS-COV 2): Covid-19 (from Coronavirus Disease 2019), which has become a serious pandemic and health emergency with multiple pathological...

21 September 2020 4,618 13 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

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

Arena simulation - how do i model the following model in ARENA (see description) (new to ARENA)?

Hello, I'm fairly new to ARENA and I have the following problem: I have two queues in which, in each queue, a different order type arrives (both having an arrival rate of exponential 10). Order...

02 March 2021 2,431 3 View

How to repeat an operation on an atom selection for multiple times in PyMol?

Hi, I am trying to construct a multi-layer fibril structure from a single layer in PyMol by translating the layer along the fibril axis. For now, I am able to use the Translate command in PyMol...

02 March 2021 4,569 4 View

Can we distinguish the type of free fluid inside the pelvic and abdominal cavities whether blood or serous fluid using the ultrasound?

during ultrasound examination of acute abdomen, sometimes we see free fluid , can we know the type of fluid ,whether blood or not , using ultrasound only? if yes , what are the sonographic...

01 March 2021 7,476 4 View

What is the difference between genotype and haplotype data in the ped format?

Hi everybody In the ped format for genotype, alleles of any SNP are represented by two columns (one for each allele, separated by a space). Is a column sufficient for the haplotype to...

27 February 2021 1,965 1 View

How to calculate Ligand-active site distance in a ligand-protein complex from MD simulation?

I have run a MD simulation of a ligand-protein complex in GROMACS using CHARMM forcefield. Reviewer has asked me to calculate Ligand-activesite distance and binding free energy of ligand with...

27 February 2021 4,703 1 View