How to fix MEMDDI and MWORDS allocations in MP2 calculations using GAMESS..?

I try to run a MP2 calculation and I end up with the following, Error ENOSPC: The number of shared memory identifiers for the node has been reached. I ran exetyp=check and I used those values...

28 March 2017 8,277 7 View

How to do a population analysis for the TDDFT calculations..?

I want to know how to perform a population analysis using GAMESS for TDDFT calculations , Thank You,

24 February 2016 4,883 7 View

How can I increase the memory allocation of gamess using the keyword as MWORD?

21 December 2014 9,467 4 View

What are the new 2D nanomaterials were used for Silver nanoparticles stabilization?

In the stabilization of AgNPs are vital in current research interest. However, some of the 2D nano-materials like graphene oxide, MoS2, etc... previously used to stabilize it. But still they shown...

01 March 2021 2,207 3 View

Thermal reduction of graphene oxide.?

I am trying to reduce graphene oxide by thermally but I have no proper information regarding this. Can any one help me regarding the details about temperature and time for the reduction of...

23 February 2021 4,155 4 View

Is there an ideal incubation time of RGO-modified SPCE before subsequent use, i.e., electrochemical characterization or further modification?

I notice that upon washing and air-drying of my RGO/SPCE surface and characterizing again via DPV, the current response towards ferricyanide probe significantly decreases. My worry is that the...

22 February 2021 5,324 3 View

What is the best substrate for exfoliating few layers of hexagonal boron nitride (hBN) using traditional scotch tape method?

Unlike graphene, it is usually very difficult to exfoliate few layers (~10 nm thick) of hBN on SiO2 substrate due to lip-lip interaction at the edges. Au substrates have been proven very useful...

16 February 2021 2,635 2 View

How can I calculate teh crystallinity degree of graphene oxide?

I had treat my XRD diffraction pattern by Highscore to calculate the crystallinity degree Xc and I have the formula but I dont no the 2Theta of Ac and Aa to calculate Xc. Is it like polymers...

10 February 2021 6,305 5 View

About XRD details of pristine and doped RGO?

Hi Can anyone please help me know the XRD details of reduced graphene oxide, Nitrogen doped reduced graphene oxide, Sulphur doped reduced graphene oxide, Nitrogen and Sulphur co-doped reduced...

08 February 2021 3,033 3 View

What is the difference between Graphene Oxide and Expanded Graphite?

What are the main differences between Graphene Oxide and Expanded graphite, in terms of surface functionalities, conductivity, d-spacing and other features? Is the term expanded graphite...

06 February 2021 9,810 4 View

How to apply graphene oxide on an gold electrode?

Dear Fellows, now it is the time to push graphene applications further in terms of easy and low cost production surroundings. Thus I recently dived in the materia and I am facing tons of papers,...

02 February 2021 6,284 2 View

How to perform hydrogen underpotential in hydrophobic material?

I have a working electrode composed of deposited graphene material (confirmed from Raman).The graphene is porous and has deposited Pd nanoparticles. I am trying to perform hydrogen underpotential...

01 February 2021 3,199 1 View

What is the dispersion relation in polycrystalline graphene?

Hi, We all know the dispersion relation for an ideal graphene in hexagonal lattice. Since graphene is polycrystalline by nature, assuming a perfect graphene crystals with average size La, nm...

24 January 2021 4,747 2 View