What is the difference between numerical, analytical, and computational physics?

Hello for all, Kindly, I need to know the clear and proper difference between numerical, analytical, and computational physics. with warm regards Fouad

10 November 2018 5,680 0 View

Why the adsorption of molecule to the edge site is more stable than that of center of graphene ?

Hello for all, Recently, we study the adsorption of gas molecules on graphene and its implication as a gas nanosensor by DFT investigations. However, we have question, why many articles suggested...

08 September 2018 3,875 0 View

The electronic transition of graphene ??

Hello for all, kindly, we studying the effect of impurities on the optical properties of graphene, but we found from GussSum program the electronic transition are : HOMO->LUMO...

05 June 2018 2,026 0 View

Why the Standard B3LYP/6-31G* Model Chemistry Should Not Be Used in DFT Calculations of Molecular Thermochemistry ?

Why the Standard B3LYP/6-31G* Model Chemistry Should Not Be Used in DFT Calculations of Molecular Thermochemistry ?

05 June 2018 9,852 1 View

What is the different between clean process and optimization process in Gaussian 09 ?

Hello all, What is the different between clean process and optimization process in Gaussian 09 ? So that if only a clean process is done on the system it can be said to become an optimized...

04 May 2018 4,296 3 View

How to write an article review ?

Hello, kindly, How to write an article review ? Best regards

02 March 2018 1,865 0 View

How to calculate and draw Intensity with wavelength from Gaussian 9 ?

10 November 2016 3,195 0 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 kind of fluid could I use for a pitfall trap that also does not invalidate molecular testing?

Hi, I want to start testing pitfall trap to obtain ants samples, but I need to conduct molecular analysis on those insects. So, what kind of fluid can I use? Ethanol expires too early and I need...

03 March 2021 5,978 5 View