Does any of the Gaussian solvation models take into account the ionizing power of the solvent?

I want to study computationally the mechanism of a reaction for which the ionizing power of the solvent plays a crucial role for the selectivity.

06 July 2019 8,625 3 View

What keywords I must use in the input to define the parameters for a new generic solvent in Gaussian?

02 March 2017 3,593 0 View

In cyclic voltammetry I ran a blank and I observed a big anodic peak from 1.8 to 2 V. Does anyone know from where this peak comes from?

07 August 2016 5,539 27 View

Why in the excited states obtained from TD calculations we get contributions from several transitions?

03 April 2016 5,126 5 View

Electrostatic potential surface of excited state using Gaussian?

03 April 2016 7,919 4 View

Can I do an ellipsoid fitting on my molecule with Ballview?

I want to calculate the diameter of a molecule. Can I do an ellipsoid fitting with Ballview. Or is there any other user friendly software that can do this job? Or also measuring distances etc?

09 October 2015 2,653 3 View

MALDI-TOF analysis of DNA samples?

09 October 2015 7,361 2 View

A chip detached from a MALDI ground steel target, can you stick it back?

Hello, we have a ground steel target for MALDI. There is a small black chip sticked to the steel, which is for the instrument recognizing the ID of the target. This have been detached during...

11 December 2014 8,158 4 View

Free download of ISIS draw?

09 October 2014 3,873 11 View

Does anyone have any information on Gaussian output file broken S-S bond?

07 August 2014 9,784 12 View

flexibility of polymers chain

effect of double bond on the flexibility of polymers

07 April 2021 0 0 View

Formulation of polymer color flakes

I am writing to request some information for making polymer color flakes. I would appreciate the help.

17 March 2021 0 0 View

What is the production process of CaFe ferroalloys?

I looking for ferro calcium production process

03 March 2021 1,755 4 View

Chlorinated organic formation in odor control scrubbers using hypochlorite?

I'm involved in a study of odor control technologies for municipal wastewater treatment plant. One of the control options involves a chemical 2-stage (acid/alkaline) packed bed scrubber. The...

03 March 2021 3,661 2 View

How do you write a simplified C block code of this average-current control on PSIM?

This is a Buck (step-down) Converter and I am new to this program. I need to program with simplified C block and I actually don't know what to do. Can anyone show me how to do this? Or at least...

02 March 2021 8,233 1 View

12% ledeburitic cold work tool steel, etched for revealing retained austenite, any help for clarifying?

Hello everyone. Given microstructure image belongs to a 12% ledeburitic cold work tool steel (annealed and tempered). The sample was etched with picral (100 mL ethanol and 4 g picric acid). I...

02 March 2021 4,119 3 View

Is there a powerful system for the security of the systems distributed on IoT systems?

Is there a powerful system for the security of the systems distributed on IoT systems?

02 March 2021 3,858 10 View

Do you know good and user-friendly programs to measure plant quantitative traits?

For my research i will need to measure plant quantitative traits (especially leaves area and roots length, but would be nice to add some more information). I recently discovered...

01 March 2021 5,035 2 View

How Relativistic effects is one reason for lanthanide contraction?

The Lanthanide contraction which is the decrease in ionic radii of the elements in the lanthanide series from atomic number 57, lanthanum, to 71, lutetium, is due to poor shielding of the 4f...

01 March 2021 2,272 4 View

Ester cleavage conditions?

Hi all, I need to cleave the ester in Ethyl 2-amino-1H-imidazole-5-carboxylate to make the carboxylic acid and retrieve the product from solution to use in downstream applications of linking to...

01 March 2021 8,766 3 View