Hello every one. I need to convert chk to fchk file for plotting Transition Density Matrix(TDM ) King regards.
Hello, I am looking for a series of over 30 molecules derived from the cannabis plant with a specific biological activity and the IC50 values of all the molecules. Could you help me find this...
22 April 2024 9,460 0 View
fungal secondary metabolites.
18 April 2023 1,057 4 View
I’m trying to submit another calculation now in B3LYP 6-31/G(d,p) and shown another two error messages: error #2070 all processing of the last link ended abnormally, all process has been...
19 October 2022 8,664 0 View
I want to know the difference between 6-31G(d,p) basis set and 6-311g(d,p) basis set, in order to choose the best base set which reproduces the experimental data. thank you so much.
07 September 2022 6,349 3 View
Hello everyone, How I can program a Lundberg state space observer using the Simulink block "Matlab function" and display the result on a scope ?
01 March 2022 374 5 View
Hello, please, I want to know how to interpret the transition density matrix maps, obtained for the conjugated organic molecules applied in solar cells?
23 October 2021 5,530 3 View
MPPT algorithme
09 April 2020 8,843 9 View
Please, I need to know the difference between manifest variables, items and questionnaire questions in SEM. I thought that manifest variables are another way to design items. But in some journal...
13 October 2019 7,590 2 View
Is the kendall coefficient sufficient to stop the Delphi method process? if so, in what value? some authors suggest a value greater than or equal to w=0.7
31 March 2019 5,457 1 View
Hello all, It is clear that cancer cells need to migrate within host tissue during metastasis, but they face the extracellular matrix as a physical barrier. Is it necessary for them to degrade...
24 October 2017 8,318 7 View
I need to model an anisotropic material in which the Poisson's ratio ν_12 ≠ ν_21 and so on. Therefore, the elastic compliance matrix wouldn't be a symmetric one. In ANSYS APDL, for TB,ANEL...
09 August 2024 5,048 2 View
One can try to generalize the Vandermonde determinant in the following direction: Let $A$ be any symmetric $n$-order square matrix. Consider its powers' diagonal elements $(A^k)_{ii}$ and...
08 August 2024 6,690 1 View
Have you ever seen a LC-MS/MS method uses both internal standards and external standards (in matrix matching purpose) but the concentrations of internal standards are outside the calibration curve...
05 August 2024 3,084 6 View
- The Existence/Uniqueness of Solutions to Higher Order Linear Differential Equations - Higher Order Homogenous Differential Equations - Wronskian Determinants of $n$ Functions - Wronskian...
03 August 2024 2,366 0 View
for eg. transition shock scale
01 August 2024 5,998 0 View
I need to lyse and homogenise mouse tissues. So far I have experimented with liver and lung tissue, using matrix D. The liver was completely lysed with 6 repetitions of the standard program, but...
31 July 2024 9,186 0 View
We assume this to be true. Science leaves the era of mathematics and enters the era of matrix mechanics and the turning point is the discovery of numerical statistical theory called Cairo...
31 July 2024 3,900 2 View
I am new to Micromechanics and having similar problem with understanding the implementation of the formula's. I would appreciate if anyone can guide me on how to go about getting a scalar value...
30 July 2024 969 0 View
Sure, here is the translation: I have a 3D orthogonal woven composite structure where warp, weft, and binder yarns are oriented in three directions. After modeling these yarns and the matrix in...
28 July 2024 8,169 0 View
We assume that we can find a statistical matrix mechanics equivalent to Schrödinger's PDE in two consecutive steps: i-Transform the Schrödinger PDE describing the wave function Ψ into its square...
27 July 2024 3,959 4 View