Does anyone know a program (windows 32 or 64) with Extended Huckel Overlap Matrix?

More Juan-Sebastián Gómez-Jeria's questions See All

How to analyze multiple phosphorilation sites?

Hello, I am currently analyzing some phosphoproteomics data, but I have peptides with multiple phosphorylation sites or phosphorylations together with carbamidomethylation or oxidation. How can I...

04 August 2024 8,432 3 View

How to reduce the material coming out of the torque rheometer?

A physical mix was in vitro evaluated on a torque rheometer. The composition was predominantly recycled polypropylene (PP), yet the melt flow index (MFI) was found to be excessively high....

25 June 2024 10,154 0 View

Questions about granite analysis using remote sensing?

I am studying large-scale granite structures, specifically inselbergs. I would like to know your suggestions for analyzing these granite structures using remote sensing. Books, articles, and...

17 June 2024 6,687 1 View

What is the maximum safe current that can be applied to a photovoltaic panel during electroluminescence (EL) testing to avoid damage or degradation?

I am working with electroluminescence (EL) imaging of photovoltaic panels and need to ensure that the modules are not damaged during testing. I understand that the bias current is usually set...

16 June 2024 5,514 1 View

Who is the use of Generative Artificial Intelligence in Qualitative Research?

One of the most intriguing frontiers in contemporary research is the application of Generative Artificial Intelligence (GenAI) in qualitative research. This technological advance offers tools that...

13 June 2024 781 2 View

¿Que enfoque metodológico me recomiendan para abordar los gremios tróficos en un área natural de BST?

Me interesa investigar la distribución espacial de los gremios tróficos de aves en un área natural específica de bosque seco tropical, analizando la abundancia relativa de cada gremio en las...

12 June 2024 9,313 1 View

Laser for perovskite module?

Hi, I'd like to know if someone knows about a company where I can buy an affordable laser-scriber for perovskite films and another thin film for the fabrication of modules. Many thanks,

31 May 2024 2,841 0 View

Can somebody help me to identify these permian ammonites?

Hello, these samples comes from Olinalá Formation (Permian age), Guerrero State, México. I need help to know if they correspond to Roadoceras, Stacheoceras and Waagonoceras (that have been...

27 May 2024 9,110 0 View

Fluorescence spectroscopy: signal from water?

In order to proceed with the quantification of an Azide Alkyne Cycloaddition reaction efficiency by using a fluorogenic probe with Cy5-DBCO, I first need to construct a calibration curve. The...

16 May 2024 6,266 5 View

Can I calculate the high and low spin of the material in Quantum espresso?

I would like to simulate the high and slow spin configuration of a metal oxide. I am using QE for it, but in my research, I found that this kind of calculus is not possible. Or if it is possible,...

15 May 2024 6,497 3 View

How to define an anisotropic material with asymmetric elastic compliance/stiffness matrix in ANSYS APDL?

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

GC-MS retention index prediticon?

Hello experts, Does anyone know any free software about retention index prediction ?

08 August 2024 7,403 2 View

Is it true that $\det(V(A))$ may be only $\pm 1$, depending on $n$, for the last symmetric tridiagonal matrix $A$?

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

How to solve g_mmpbsa error?

Program: g_mmpbsa, version 2024.1 Source file: extrn_apbs.cxx (line 152) Fatal error: Failed to execute command: $APBS pybYcUWA.in --output-file=pybYcUW.out

07 August 2024 6,066 0 View

How to convert a privately loaded document into a public document?

I attempted to make a privately uploaded text public but a window appeared that said an error occurred. There was no explanation provided as to why there was an error or what might be done to...

05 August 2024 8,025 7 View

Usage of internal standards in LC-MS/MS analysis?

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

Request a single Lecture notes for math as detailed as this that I can find in one place?

- 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

Can anyone provide me with molecular docking softwares/ websites?

Molecular docking software/ websites?

02 August 2024 8,704 7 View

Tissue homogenization in mouse with FastPrep-24™ 5G - is the D matrix system useful?

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

Is it true that science is leaving the era of mathematics and entering the era of matrix mechanics?

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