e,g Diels elder kind of reaction
this video describes drawing reactants and submission of the job
https://www.youtube.com/watch?v=EGhPsDjeTw0
Let suppose we want to know the possible impact factor of any journal, is it possible to do so? Or not
11 December 2019 5,764 4 View
Find Excel sheet lust of ISI Journals Impact factors 2016- 2017?
05 June 2018 7,278 0 View
I have asked to determined the ranking of my journal for a position. Can anyone kindly help in this regard, that how can we calculate that whether the journal we published in top 20% or not? Regards
10 November 2017 3,218 0 View
Dear Friends I need your kind comments that in case of ternary composite, if the flat band values in MS plot changes from one value to other lets say -0.24 V (for pure) to -0.18 V (for binary...
09 October 2017 5,430 6 View
Dear Friends need your small stepwise assistance in building the structure of carbon nitride in the materail studio.
07 August 2017 7,111 0 View
Dear Professors, I need to know that whether there is a direct or inverse relation in adsorption of dye on the surface of catalyst and degradation. I will be thankful if you kindly provide your...
06 July 2017 1,519 7 View
Dear Researchers what is the highest benchmarks which are achieved from the PEC water splitting? I mean the highest photocurrent density, solar to hydrogen efficiency etc.
05 June 2017 3,032 4 View
Dear Professors and Friends, I need to make Nanowires of metals and metal oxide as part of my PhD work, so kindly guide me if you know anything about this. Especially in material studio, The...
01 February 2016 2,753 1 View
Dear Professors and friends, I have Core i7 laptop, so can i run CASTEP job by it or not directly from material studio 7.0? As I tried once for energy determination of graphene layer and my window...
31 December 2015 1,679 1 View
I need to learn that how can i calculate HOMO-LUMO from experimental spectrum. I know to calculate it theortically.
31 December 2015 9,854 0 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
what is the keyword to add omegaB97X functional in gaussian input file?
20 June 2024 7,158 3 View