How to simulate IR spectra?

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What could possibly be a lead compound in plants?

Dear experts, I am new to natural products. so I would like to know whether the lead compound is always an alkaloid or it could be a flavonoids, terpenoids etc. Thank you well in advance !!!

27 March 2017 5,240 4 View

What is the composition of composite materials to be ? What if it were a bio composite material?

Dear experts, I would like to know What are the major composition of composite materials. A bio composite material should be free from chemicals or there may be some chemical added to enhance its...

05 February 2017 3,615 6 View

How to rectify error in autodock?

Dear experts, Im trying to do docking study using autodock4. Being a newcomer to this field, i face difficulty in rectifying the errors. Kindly help me to sort this error in the attached log file.

15 November 2016 7,200 13 View

Software to read IR out files from gaussian

Dear RG members, Is there any free ware to simulate the IR resulats obtained from gaussian

13 November 2016 4,962 3 View

How can I compute the reorganization energy for a molecule?

I'm interested in analysing the electronic properties of old materials , can any one help me to calculate the reorganization energy.

06 November 2014 9,081 4 View

How to learn more about SPSS and its Application?

I would like to learn more about SPSS and Its application especially in regards to data analysis. Please suggest me how I can learn more about it. Thank you so much.

11 August 2024 9,101 4 View

Can I base on reverse DNA sequences to perform alignment, convert to amino acids and GenBank submission?

I have reverse sequences (AB1 format), can I base on reverse DNA sequences to perform nucleotide alignment, convert nucleotides to amino acids and deposit the sequence in GenBank database?

11 August 2024 5,138 1 View

Baseline drift in HPLC? What causes this?

Hello, Why do i see this baseline drift when i compare my blank (black) to the sample (blue)? Any suggestions as to why this happened? Thank you!

11 August 2024 3,770 4 View

Text-Communication from the M1 Hand Area using BCI—and then there is Elon Musk?

Willett, Shenoy et al. (2021) have developed a brain computer interface (BCI) that used neural signal collected from the hand area of the motor cortex (area M1) of a paralyzed patient. The...

10 August 2024 7,180 0 View

Has anyone applied Python in the field of textile engineering for data analysis, automation, or smart textiles?

I'm currently exploring the application of Python in textile engineering, specifically in areas like data analysis, process automation, and the development of smart textiles. I'm interested in...

10 August 2024 7,429 2 View

How can I use the cif data obtained from rietveld refinement extracted via gsas2, for microstructural analysis using ETEX software?

09 August 2024 7,718 0 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

How are iso-frequency contours plotted?

Let's say we have a standard, regular hexagonal honeycomb with a 3-arm primitive unit cell (something like the figure attached; the figure is only representative and not drawn to scale). The...

07 August 2024 1,937 1 View

How to prepare the nanoparticle treated fungal sample for Environmental SEM analysis?

A fungal strain was treated with nanoparticles. We want to do an environmental SEM analysis. So could anyone share your views on preparing the sample? Thank you.

07 August 2024 5,307 1 View

How to normalize and take the significance of the MTT OD values with 3 replicates for the same cell-line?

Hi, I have a question about normalizing the MTT OD values for doing the statistical analysis. So, if we have 3 different plates and we call them 3 different replicates, so, first we would...

07 August 2024 8,106 4 View