optical properties and thermal properties of a perovskite materials
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
I am not able to get good literature and the physics behind how first these grains and grain boundaries arises out of no where when we make a pellet to study its dielectric properties and then how...
07 August 2024 5,177 3 View
Hey All! I am wondering what might be wrong with my band structure. I did the calculations using VASP and plotted the results using Origin. Although I have tried changing various input...
25 July 2024 2,920 11 View
Gene sequencing related trouble shooting
25 July 2024 4,149 2 View
I am looking for a lipid waste disposal method, keeping in mind the environmental, health and safety aspect of lipid waste. Could someone please provide guidelines or the lowest acceptable...
25 July 2024 637 5 View
I understand a glycerol stock for long-term preservation would be ideal, but how are working cultures generally stored? Mainly concerning Candida spp. isolates. A few references mention that they...
22 July 2024 6,592 3 View
I am writing a paper as a part of my course. I am new in London and was wondering that what publications should look upto?
21 July 2024 3,538 1 View
After World War, we have seen the formation of the United Nations. The sovereign body for peacekeeping but with regards to the Russia-Ukraine war it is visible that the UN seems to be ineffective...
18 July 2024 4,674 4 View
It has been a quite long time since the Russia and Ukraine war has been going on and if we see the context of Geopolitics and International Relations we don't see a mediation between the two...
18 July 2024 6,737 4 View
One of the papers I read by Toby, where (title of the paper was "R factors in Rietveld analysis: How good is good enough?"), he tells us that to get good chi square value, you must have low Rwp,...
17 July 2024 9,668 4 View
I'm trying to calculate the tolerance factors of the hydride perovskite and the value calculated by me and the reported values are contradictory. Need more clarity in using the correct ionic radii...
01 August 2024 2,614 1 View
I'm trying to perform a frequency calculation using Gaussian via MOBAXterm. The output shows no errors, however, there's no frequency as a result on gausview. The option "vibrations" is not...
31 July 2024 631 4 View
How can we calculate the percentage of configuration interaction (CI) in the UV output data of the Gaussian program? for example: Excited State 17: Singlet-A 5.1359 eV 241.41 nm...
28 July 2024 9,165 2 View
Hi everyone, I'm working on calculating the activation energies for some redox reactions using Gaussian, Here are the reactions I'm interesting: Py•−+ 3O2 → Py + 3O2•− Py•− + 1O2 → Py + 1O2•− Is...
18 July 2024 4,418 3 View
Using DFT/B3LYP/6-311++G
17 July 2024 7,720 1 View
im studing gaussian 16 with reading paper about I-131 Metaiodobenzylguanidine in the paper "In a similar vein, nuclear magnetic resonance shielding values were investigated using the widely...
16 July 2024 6,040 4 View
I have ftir from gaussian output file.where ir aand raman are given. However in many research articles value of ir and raman are classified into two portion. Please anyone knows suggest me to how...
11 July 2024 2,498 1 View
I am new to gaussian 16 software and while doing non linear optical properties calculation hyperpolarizabiltiy polarizability dipole moment calculation I found different gaussian input keywords...
08 July 2024 7,551 1 View
I need to apply an external electric field to 4-hydroxybenzoic acid to compare the molecule's reactivity descriptors. Could you guide me on how to apply the electric field using Gaussian and...
01 July 2024 4,192 3 View
how to rectify that error and also I need some clarification regarding how to put scan in gaussian software
26 June 2024 735 2 View
