How to get full vibrational analysis assignment data table for Raman and IR ??

06 July 2017 6,114 3 View

Help to analysis the results using Vibrational Energy Distribution Analysis (VEDA)

04 May 2017 6,278 4 View

No title

I am trying to find the polarizability and hyperpolarizability using gaussian . Output that I got was given below in this massege , but i faced problem to identify the values of polarizability and...

03 April 2017 1,617 12 View

How to calculate the polarisability using DFT ?

03 April 2017 4,650 4 View

How to calculate Dielectric (Cole -Cole plots ) using Impedance values??

02 March 2016 9,133 1 View

What kind of basis setup is suitable for dimeric liquid crystal DFT approach (Using Gaussian 09 software)?

02 March 2016 8,455 4 View

How can I resolve the ' l502.exe' error in Gaussian 09?

How can I resolve the ' l502.exe' error in Gaussian 09?

02 March 2016 4,261 4 View

MD MOE RMSD

How to calculate the RMSD values for a MD simulation using MOE?

07 August 2021 0 0 View

MD MOE RMSD

How to calculate the RMSD values for a MD simulation using MOE?

07 August 2021 0 0 View

fatal error

When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.

16 June 2021 0 0 View

fatal error

When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.

16 June 2021 0 0 View

fatal error

When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.

16 June 2021 0 0 View

fatal error

When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.

16 June 2021 0 0 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

Physics: Why do we describe light by referring to its wavelength, but microwaves and radar pulses by referring to their frequency?

In physics, the description of the properties of light generally refers to its wavelength (nm), while in the range of microwaves and radio waves we refer to the frequency of a signal (e.g. kHz or...

03 March 2021 1,682 3 View

What is the production process of CaFe ferroalloys?

I looking for ferro calcium production process

03 March 2021 1,755 4 View