How I can obtain the cartesian coordinates of a complex without single crystals for gaussian calculations?

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Why in some wavelengths there are "overflows" in my Carbon dot UV-Vis Spectroscopy results(Emission segment)?

Hi everyone I have got this test in a fixed excitation and various emissions. In some wavelengths there are overflows which make the resulted analyze different from other carbon dots. Is it normal...

18 July 2024 4,244 2 View

Hey there, What is The best recommended solvent( safe for use) to dissolve or remove Z-90 Adhesive from ceramic surfaces ?

as of my knowledge z90 is acrylic based sealant adhesive.

09 July 2024 8,660 4 View

I want to find a book related to cosmetic formulation, can I?

books related to cosmetic formulation

08 July 2024 7,561 0 View

How can I select in f2 segregated populations by molecular marker (MAS) in canola (Brassica napus)?

How can I select desired traits in f2 segregated populations by molecular marker (MAS) in canola (Brassica napus)? (for example markers associated with spring or winter type cultivar, yield-...

14 June 2024 9,525 0 View

Why my R2 value is low for qPCR curve?

I am a beginner in qPCR but I have good pipetting skills. the last two times I ran qpcr using templates with known concentration to generate standard curve my R2 is either 0.8 or 0.75 not higher....

25 July 2023 5,831 0 View

What are the significance of R and R^2 in regression analysis?

In finding the correlation and regression of multivariable distribution what is the significance of R and R^2? What is the main relation between them?

30 March 2023 8,867 4 View

How to speed-up the simulation without a GPU?

My computer has no GPU. In this situation how can I speed-up my simulations in MATLAB computing?

24 January 2023 773 8 View

How to structure the first-order representation of second-order dynamical systems?

I want to structure the second-order dynamical systems in the form of first-order representation. There are several first-order representations that exist, which is the most appropriate one?

01 December 2022 3,124 3 View

How to include a decreasing loop within an increasing loop in MATLAB?

I want to write an algorithm for the Crank-Nicholson method (Gauss-Jordan process), where the back substitution is required in the original incremental loop. How can I do it?

30 November 2022 4,450 4 View

Why Frequency Increases with the reducing of patch size and why Frequency decreases with the increasing of patch size of a Microstrip or CPW antenna?

Microstrip patch antenna or Coplanar waveguide antennas resonant frequency can be tuned by by increasing and decreasing patch size. I want to know the exact reason for it. Seems like...

27 August 2022 4,230 6 View

I can't see the ssDNA band after performing asymmetric PCR. Is there any way to do this?

After performing symmetric PCR, PCR purification was performed. Afterwards, asymmetric PCR was performed using the PCR purification product as a template, but no ssDNA band was confirmed in the...

08 August 2024 1,668 3 View

How to understand this crystallographic phenomenon of low temperature crystals in zeolite?

During low-temperature testing, new diffraction peaks that appear could be indicative of several phenomena. In one of our tests, we observed notable new peaks around 40° and 45° in a specific...

06 August 2024 726 3 View

My frequency output shows no errors, however, there's no frequency as a result on gausview. Does anyone know what I'm doing wrong?

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

Why Powder XRD is performed after cruhsing a crystal if Single Crystal XRD analysis of the same crystal has been performed already ?

What information we can get from PXRD analysis other than from SCXRD analysis of a crystal ?

30 July 2024 6,261 4 View

How to know the b axis of a single crystal?

How to apply magnetic field parallel to b axis of any crystal

29 July 2024 4,083 2 View

How can we calculate the percentage of configuration interaction (CI) in the UV output data of the Gaussian program?

How can we calculate the percentage of configuration interaction (CI) in the UV output data of the Gaussian program? for example: Excited State 17: Singlet-A 5.1359 eV 241.41 nm...

28 July 2024 9,165 2 View

How can I use DFT-D3 correction ( Siesta version 5.0.1)?

Dear Siesta Users, I installed Siesta 5.0.1 and I want to use Grimme's D3 correction. According to the 5.0.1 manual, I could use a few parameters to include the D3 correction in the...

27 July 2024 5,748 0 View

Can anyone help me explain my problem?

Hi, Now I am doing a single-base editing by using HiFi Cas 9, guideRNA, single stranded DNA, HDR Enhancer V2 and my tranfection mehtod is lipofection (RNAiMax). Unfortunately, after gene editing,...

26 July 2024 2,136 0 View

Are there any alternatives to PhenoScanner?

I am currently conducting a mendelian randomization study, and I was attempting to use PhenoScanner to look for potential confounders associated with the selected SNPs (any SNPs significantly...

23 July 2024 5,703 0 View

What are the strategies to Enhance IgG-Producing Plasma Cells in mice for Monoclonal Antibody Development?

I have immunized BalB/C mice with a protein using the intradermal (ID) method with Complete Freund's Adjuvant (CFA) and Incomplete Freund's Adjuvant (IFA), following a 14-day interval and three...

22 July 2024 9,160 2 View

Yoshinobu Ishikawa

Hi Mahtab,

Try molSimplify, but I've not done it yet ...

http://hjkgrp.mit.edu/content/molsimplify-introduction

http://hjkgrp.mit.edu/content/installing-molsimplify

http://hjkgrp.mit.edu/Tutorials

Mahtab Pirouzmand

Hi Yoshinobu many thanks for your guidance@Yoshinobu Ishikawa

Mohanned Alanber

you should use Heyperchem first for deign