I use the keywords “#p B3LYP/6-31G(d,p) POP=FULL IOP(6/7=3)”
#densityfunctionaltheory #DFT
Am a researcher working on Routing Protocols for underwater sensor networks. Can someone please share the MATLAB source codes of an AUV assisted routing protocol....Help me please... Thank u in...
12 November 2023 1,636 1 View
Am a researcher working on Efficient Routing Protocols for underwater sensor networks. Am using MATLAB tool. Can someone help me with the detailed procedure of writing an environment, reward...
11 April 2023 4,557 2 View
case study 1
11 March 2023 210 3 View
I would like to continue my research on underwater sensor network routing protocols. As I am new to this domain, I request someone to share the source codes of Depth based routing and Vector based...
27 October 2022 3,856 3 View
Dear peers and experts, I am currently conducting anaerobic digestion research and wonder which one of these parameters represents microbial activities better: TOC, or VS. Several references I...
09 August 2022 6,941 3 View
I'm working on S aureus resistance to vancomycin. However I'm fining it difficult to perform my dilutions
30 July 2022 8,407 3 View
I want to quantify exosomes using BCA, can i use the final extracted exosomes or should i take sample from the CM before ultracentrifugation? How much ul of extracted exosomes do I need for BCA...
25 August 2021 1,239 3 View
I isolate exosomes from condition medium according to ultracentrifugation protocols. after 3 centrifugation (10 min x300g) then (15min x2000g) then (30 min x10,000g) , medium collected and filter...
11 August 2021 767 2 View
hello, Im using the Electromagnetic Waves Beam Envelops interface in order to simulate two seperate structures: one is a waveguide inside silicon, second is just propagation inside a bulk of...
10 October 2020 6,415 2 View
Dear colleagues, Now I am working on BHJ solar cells with inverted structure. I have a case where the cathode's WF (~3.8 eV) is lower than acceptor LUMO (~3.9 eV). What would happen if the...
18 August 2020 9,573 3 View
I have modelled a steel structure using beam elements in Abaqus and attached to this structure reinforced concrete slab. The analysis that I am making is heat transfer of the structure. The...
07 August 2024 1,028 0 View
I am experimenting with cancer and non-cancer cells in a 12-well plate for 4 days with a seeding density 1*10^4/well, however, I noticed that the control group growth rate slows down on D3. Should...
07 August 2024 2,283 2 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
Hi all, my experimental XPS results shown that my C3N5 sample consists of N-H bond, hence in this case I should incorporate the N-H bond into my DFT modelling. However, I do notice several papers...
07 August 2024 8,414 2 View
In order to show people the beauty of control and enhance enthusiasm for learning control theories, are there any good simple systems or platforms to recommend?
05 August 2024 10,034 1 View
Exism movements after gaining power within liberal democracies under majority rule and independent rule of law system become permanent dictatorship threats, but why this is the case is not clear...
04 August 2024 8,125 3 View
Hello, everyone. I have tried to determine carrier motilities of some materials, by Density Functional Theory, using Quantum ESPRESSO. There are a few methods to do it, like a package called...
04 August 2024 8,894 1 View
What is the most suitable experimental setting to understand the consequences of a particular gene: (1) targeted degradation of the specific transcription factor (TF) of the gene, followed by...
04 August 2024 6,265 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 want to do wavelet transform of some compounds for their comparative study? Kindly help me in this regard and provide with proper procedure.
31 July 2024 4,170 0 View