Can anyone suggest how can open chemcraft for the output of gaussian (09)data?

Raja Raghavan @Raja_Raghavan

07 July 2014 0 3K Report

by running gaussian 9w version i cant open the chemcrat so, i need solution for the above

Badges
Science topic

More Raja Raghavan's questions See All

What are the forces between atoms,molecules,particles and grains?

how the difference between those will study

31 December 2018 9,786 6 View

What are the changes happen in quantum confinement of nano materials?

need details of changes happen in nano material due to confinement

11 December 2018 4,141 0 View

Can anyone suggest the available Books of nanophysics?

i need to know size, properties applications of nano materials

11 December 2017 175 0 View

What about shelf life of a grown crystal?

I need the reference of the shelf life about crystals

31 December 2016 5,033 0 View

Can anyone give the details of Pnma space group crystals are noncentro symmetric or symmetric?

space group Pnma crystals are noncentro symmetric or not

04 May 2016 3,848 5 View

Can anyone suggest to find powder xrd details of adipic acid and thiourea?

i want to know the details of tha above from jcpds

03 April 2016 3,733 1 View

Can anyone give the detail study of IR spectrum of inorganic compounds?

I would like to know the assignment of inorganic compound for doping material.

31 December 2014 291 1 View

Is it possible to know the nlo property of the material through ftir?

ftir is useful tool to know about nlo?

11 December 2014 7,791 3 View

What are the parameters to calculate from computational xrd

i want to calculate bond length and bond angle

08 September 2014 530 0 View

How does light affect the color of a crystal

what changes are possible in crystal

08 September 2014 3,278 1 View

How to resolve Gaussian error termination " Error termination via Lnk1e in F:\G16W\l103.exe" for TS(QST3)?

When I run the job for TS(QST3) in gaseous phase, it was completed without any error. But when I add water in CPCM model it terminated with an error: Inconsistency: ModMin= 2 Eigenvalue=...

21 February 2021 3,198 2 View

How to calculate the Atomic Polar Tensor using DFT ?

Dear friends, I am a beginner at DFT calculation. I have done a structure optimization using DFT- B3LYP/6-31G*, Nevertheless, I don't know How to calculate the Atomic Polar Tensor (APT) in...

17 February 2021 9,082 3 View

Access to supercomputer resources in India?

Hello everyone, I want to perform some gaussian calculations and want to use Materials studio for my research work. Can anyone guide me how to get access to supercomputer resources in India for...

15 February 2021 8,264 3 View

Why we use feature normalization before using the Gaussian kernel in SVM?

Support vector machine

09 February 2021 6,405 3 View

Does Gaussian 09W software take too long to give a result if we have a large chemical structure ?

DFT - gaussviev - gaussian09W - HOMO - LUMO

08 February 2021 6,012 5 View

How to calculate enthalpy of formation of Polymers taking into account the terminal end groups?

I am trying to find methods for theoretical calculation of enthalpy of formation of Polymers. till now I have found the oligomeric method (Gaussian) which uses the extrapolation of results from...

05 February 2021 9,707 4 View

How to identify when a gaussian program is about terminate normally?

Dear all, I am trying to optimize a bimetallic complex using # opt=tight b3lyp/lanl2dz scf=qc geom=connectivity. The program is running for around 5 days but the size of the .chk remains same...

05 February 2021 8,721 3 View

I have started a gaussian calculations for DFT analysis of phytochemical, it is showing a error 2070?

I am doing optimization of a phytochemical but when i submitted the file for calculations it shows error 2070. Can anyone please tell me what does it mean? and what should i do to solve it. I have...

30 January 2021 7,932 1 View

Does the power law behavior can be approximated with Gaussians?

In epidemiology, earthquakes, tokamak disruptions etc., there is possibility of approximations with the sequence of Gaussians and with the appropriate risks ( see my papers in Journal of Fusion...

26 January 2021 5,411 5 View

How to calculate radial distribution function (RDF) of a complex from Ab initio MD simulation trajectory?

Hi all, Is there any software or webserver to read the molecular dynamics (MD) simulation trajectory which obtained from Ab initio MD simulation to calculate the atom-atom radial distribution...

25 January 2021 9,474 3 View