how we can calculate order of convergence of hankel transform?
Dear all, I have a quarry regarding the temperature effect on the pi-pi interaction. Thank you
04 May 2018 4,220 1 View
Dear all, Can anyone refer me the literature about the effect of the pi pi interaction on the free energy of solvation. Thank you
04 May 2018 8,181 0 View
What are the advantages for the algorithm based on compactly supported orthonormal wavelet bases
10 November 2016 6,918 0 View
Atime-series database stores sequences of values or events obtained over repeated measurements of time (e.g., hourly, daily, weekly). Examples include data collected from the stock exchange,...
10 November 2016 9,691 3 View
I need to find order of convergence of a method How to find it
10 November 2016 544 2 View
10 November 2016 1,365 1 View
I want to ask one question related to data processing in Topspin. I done 10 1-d diffusion experiments. Now I have to find the area under one peak(in all spectra) and then I have to plot it. After...
04 May 2014 1,859 4 View
What is an apolar molecule? There is a special category in MARTINI coarse grained force field.
04 May 2014 3,765 0 View
I have to study diffusion by gromacs. I want to calculate full tensor of diffusion coefficients. I am using "g_msd -ten". But it is giving me only one value. I want to ask that my command is...
02 March 2014 4,775 4 View
I am using coarse grained builder in VMD software. In residue based CG mapping, there is an option for bead definition. I am confused as to how to proceed and appreciate any suggestions. Thank you.
11 December 2013 7,661 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
HOW CAN I WRITE A CODE TO USE THE WAVENET TRANSFORM AS A FEATURE EXTRACTION METHOD INSTEAD OF DWT IN MATLAB?
03 August 2024 7,829 0 View
I have seen plenty of existing works on applied Reinforcement Learning (RL) policies for optimized scheduling in IoT networks including Q-learning, DQNs, and the newer ones including PPO for...
01 August 2024 8,754 2 View
Hello! I am trying to calculate the sumatriptan molecule, but it has been counting for five days and it does not stop. It seems to me that it is too long and I am doing something wrong. Please...
25 July 2024 3,364 5 View
Dear Researchers, My question is associated with the "MDCI" method in Orca. Please let me clarify my question using a simple example: Suppose we are going to perform CBS extrapolation using "!...
21 July 2024 1,632 0 View
I'm trying to study the effects of introducing vacancy defects in my material. If I optimize my structure and find the lattice parameter before introducing vacancy, should I again optimize my...
18 July 2024 1,794 2 View
Let n∈ℕ, where the function f:A⊆ℝ𝑛→ℝ, 𝐴 is Borel, and (A,d) is a completely seperable space. What is the name of the functions where the graph of f in any (n+1)-dimensional box of A×ℝ is...
17 July 2024 258 1 View
Fisher studied if there is an out-of-equilibrium process that rapidly converges to some equilibrium points. He claims that Hahn process has a Lyapounof function and therefore convergent to an...
15 July 2024 1,460 4 View
Get too many colonies, which are mostly non-transformants when tested by colony PCR
11 July 2024 6,775 3 View
What are the standard applications of Cross Attention in Transformer Architectures ?
09 July 2024 9,310 2 View
