How to specify multiplicity and total charge in Ni(ii)complex using Spartan computational software
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 3,635 3 View
I want to calculate the area under a curve using Excel. Can someone please help?
08 September 2015 2,522 1 View
We are using Gaussian 09 to calculate the properties of a system in different solvents. Could someone please help out?
08 September 2015 3,775 4 View
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 4,856 5 View
I requested for the trial version of Spartan 14 software activation code and was able to activate the program, but the activation expired in 5 days. What could have been the possible reason?
02 March 2015 6,257 0 View
it was kept in ethanol for almost a month and the crystals turned black
31 December 2014 8,136 3 View
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 1,653 1 View
A crude extract of fungal culture using EtOH was subjected to column and TLC and partially purified compound was obtained. UV vis spectrum of the compound/s has max absorbance at 218nm. The...
11 August 2024 9,801 2 View
Hello experts, Does anyone know any free software about retention index prediction ?
08 August 2024 7,403 2 View
Molecular docking software/ websites?
02 August 2024 8,704 7 View
Hello,, The metal complex ligand appears incomplete in the screen of the discovery studio visualizer
30 July 2024 3,354 1 View
Difficulty with permittivitt and Magnetic Permeability Calculations Hello everyone, I have all the parameters related to the calculations of the permittivitty and magnetic permeability...
30 July 2024 5,206 1 View
Hello, colleagues. Recently, I have been working on a metal processing simulation with my UMAT in Abaqus. I have outlined the corresponding simulation, but I keep encountering issues that cause...
30 July 2024 7,062 1 View
Hello Everyone! I am trying to create a metal hydride system where I am trying to create a temperature control with the emphasis on measuring the concentration of the hydrogen with the hydrogen...
29 July 2024 7,577 2 View
Our department has recently acquired an HPC (High-Performance Computing) system, and I'm thrilled to take my molecular dynamics calculations to the next level using Desmond. I used to run my...
28 July 2024 6,553 1 View
I created a file with my outgroup and ingroup species using Beauti, ran it in BEAST, viewed it in Tracer, and then used TreeAnnotator to create a file that I imported into RASP. Could someone...
28 July 2024 2,979 1 View
Understand how to utilize biosynthesis to develop natural and sustainable solutions to address heavy metal pollution and improve environmental and agricultural conditions.
26 July 2024 1,469 1 View