How to specify multiplicity and total charge in Ni(ii)complex using Spartan computational software?

How to specify multiplicity and total charge in Ni(ii)complex using Spartan computational software

06 July 2017 6,694 0 View

Does varying the excitation wavelength affect the emission wavelength?

I excited a fused aromatic conjugated naphthalene-based system from 240-360 nm and the emission bank was continuously red shifted from 500-800 nm. The absorption maximum is around 360 nm.

04 May 2017 3,468 3 View

Can someone kindly explain how I can use Excel to determine area under a curve especially wile plotting extinction coefficient against wavenumber?

I want to calculate the area under a curve using Excel. Can someone please help?

08 September 2015 2,423 1 View

How do we specify the dielectric constant of a solvent not listed in the Gaussian 2009 program?

We are using Gaussian 09 to calculate the properties of a system in different solvents. Could someone please help out?

08 September 2015 3,668 4 View

What could make an absorption undergo red shift, then blue shift, as solvent polarity increases?

a band in uv/vis computational spectrum undergoes a red shift then a blue shift with increasing solvent polarity. its oscillator strength is >0.1

03 April 2015 4,763 5 View

How can I recover my Schiff base crystal after it has been oxidised?

it was kept in ethanol for almost a month and the crystals turned black

31 December 2014 8,041 3 View

Can I get a free software that can open a raw .sp or .spc UV-Vis data on a personal Windows computer?

Apart from the processing softwares that come with UV-Vis spectrophotometer, are there other free downloadable softwares that can open and process raw .sp or .spc data?

01 January 1970 1,509 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

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 code open-ended questions in SPSS?

Hello all, In SPSS I am going to code 2 open-ended questions. I have already read all the answers and I made a list of the most important categories to which I can code the answers. This question...

02 March 2021 1,757 4 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

How to eliminate Steady state error from Reinforcement learning genetic algorithm code?

The following code (see 1st 2 images attached) is used to produce PID controller values that are designed to control the system (G). The code finds the PID controller values (noted as k) by using...

28 February 2021 6,560 14 View

How can we simulate an hyperelastic-viscoelastic behavor with Ansys APDL?

I am working on modeling and simulation of biomecanical material behaviour, I have succeded on simulating skin using anisotropic hyperelastic material, on APDL and in our lab's finite element...

28 February 2021 552 3 View