How can I download Gaussian 09 64-Bit for windows?

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Design Criteria for Adsorption-Biooxidation (AB), a wastewater treatment process?

Dear colleagues, to improve a wastewater treatment plant, I need to check the current situation of the plant in terms of treatment process. In fact, I have to prepare the excel file for checking...

05 June 2019 6,597 3 View

Computational methods for the evaluation of antioxidant capacity?

I want to conduct a theoretical study in which the antioxidant activity and capacity of a phenolic chemical compound is supposed to be evaluated. The number of atoms of the compound is less than...

11 December 2018 5,255 5 View

How to increase %mem in gaussian09?

I had a problem when i run the frequency DFT calculation with basis set B3LYP/6-31G. The end of out file reads: dumping /fiocom/, unit = 3 NFiles = 1 SizExt = 524288 WInBlk = 512defal = T LstWrd =...

07 August 2014 3,057 12 View

How can I find the crystallographic information file (CIF) for a polyoxometalate?

For a computational study, I need to have the CIF format of the molecule that I will use for simulation.

01 February 2014 974 17 View

Is it possible to plot the atom-projected band structure using GPAW?

Hi, I'm currently working on a project where I need to plot the atom-projected band structure using GPAW. I've been able to calculate the band structure for my material, but I'm having trouble...

07 August 2024 269 3 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

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

Hi there, someone has the SeinFit software for windows because I cannot download it?

DOS version.

29 July 2024 6,064 1 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

Please, what is the memory consumption of the Matlab function quad tree decomposition procedure [S = qtdecomp(I)] with respect to the input set I?

27 July 2024 5,455 2 View

I need a reliable source or an example supported by excel sheet to understand Fuzzy Vikor?

27 July 2024 5,916 1 View

Why Orca calculations take too loong?

Hello! I am trying to calculate the sumatriptan molecule, but it has been counting for five days and it does not stop. It seems to me that it is too long and I am doing something wrong. Please...

25 July 2024 3,364 5 View

How to do calculation of Louvain methods calculation for excel sheet and and is there any software available?

The Louvain method – named after the University of Louvain where Blondel et al. developed the algorithm – finds communities by optimizing modularity locally for every node’s neighborhood, then...

23 July 2024 6,659 0 View

Getting standard errors and T-statistics for Dynamic panel data with instrumental variable method?

Dear all, I have a user written estimation code based on the paper dynamic panel data estimations with fixed effect by Galvao(2009). I have seen many papers using this method and pvalue, standard...

22 July 2024 4,588 1 View