Hello for all,
Kindly, I need to know the clear and proper difference between numerical, analytical, and computational physics.
with warm regards
Fouad
Hello for all, Recently, we study the adsorption of gas molecules on graphene and its implication as a gas nanosensor by DFT investigations. However, we have question, why many articles suggested...
08 September 2018 3,991 0 View
Hello for all, kindly, we studying the effect of impurities on the optical properties of graphene, but we found from GussSum program the electronic transition are : HOMO->LUMO...
05 June 2018 2,136 0 View
Why the Standard B3LYP/6-31G* Model Chemistry Should Not Be Used in DFT Calculations of Molecular Thermochemistry ?
05 June 2018 9,969 1 View
Hello all, What is the different between clean process and optimization process in Gaussian 09 ? So that if only a clean process is done on the system it can be said to become an optimized...
04 May 2018 4,416 3 View
Hello, kindly, How to write an article review ? Best regards
02 March 2018 1,995 0 View
Hello,How to get the total Mulliken charge for the system with GaussView ? Regards
02 March 2017 7,503 4 View
Hello all,We use DFT and Gaussian 9 software to study the optical properties for some nanoparticles. How to calculate and draw Intensity with wavelength for this nanoparticles form Gaussian ? As...
10 November 2016 3,313 0 View
May members post flyers about opportunities to present at a conferehttps://veraeducation.com/nce? If so, where to post for the Virginia Educational Research Association? https://veraeducation.com/
08 August 2024 4,585 1 View
Hello experts, Does anyone know any free software about retention index prediction ?
08 August 2024 7,403 2 View
If we map as a continuous motion an ionising electron (beginning its journey at n=1) in an H atom, a specific hyperbolic spiral appears (see animation). When we solve this spiral formula, we find...
07 August 2024 5,343 2 View
Let's say we have a standard, regular hexagonal honeycomb with a 3-arm primitive unit cell (something like the figure attached; the figure is only representative and not drawn to scale). The...
07 August 2024 1,937 1 View
Hi, I'm currently working on a project where I need to plot the atom-projected band structure using GPAW. I've been able to calculate the band structure for my material, but I'm having trouble...
07 August 2024 269 3 View
Molecular docking software/ websites?
02 August 2024 8,704 7 View
I am using a Bruker 600M solid-state NMR spectrometer with a Micro 2.5 microimaging system. The test sample is a tube of 1M LiCl aqueous solution, and the nucleus detected is 1H. I am trying to...
01 August 2024 9,227 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
I'm an undergraduate university student conducting research on the effects of internet use on depression and anxiety among undergraduate Ghanaian university students: Mediation role of Internet...
31 July 2024 2,979 3 View
I am a student in a master's program for Special Education and I am curious to see what Evidence-Based Practices that are used in teaching individuals with Autism Spectrum Disorder benefit from...
30 July 2024 5,611 1 View