What is the impact factor of Advances in OptoElectronics?

I would like to find the impact factor of the above journal. The ISSN is 1687-563X. Please help to ensure it. Since I could not through a google search. Thank You/

31 December 2018 8,107 5 View

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...

02 March 2017 1,626 8 View

How to run conical intersection locating calculations using GAMESS..?

I would like to know the error of the attached input file to be run on GAMESS. Thank You,

09 October 2016 6,534 0 View

What is orthoganolity in tddft calculation..?

I want to know why TDDFT excitation calculations are orthogonal in electronic excitation calculations. Is it a disadvantages ...?

06 July 2016 7,030 2 View

What is the different between HF and RHF ...?

How to use HF and RHF depending on the application for energy minimization using quantum chemistry software. Thank You.

05 June 2016 6,537 2 View

How to install steric softwatre on linux ..?

02 March 2016 1,038 2 View

How to interpret lambda diagnostic in gamess TDDFT calculation..?

I would like to know the relationship between oscillator strength and the lambda diagnostic since those two factors do not behave as the same for a possible excitation . Thank you.

02 March 2016 1,160 2 View

How to generate wfn file ...?

I want to calculate excitation electron population using gamess .I used AIMPAC key word I could not find .wfn file . Then I used tdprp as well now I have .dat file . Can I use that file to make a...

02 March 2016 9,662 10 View

How to calculate molecular volume ?

I would like to know how to calculate the volume of a molecule using Argus lab (preferred) or any other free ware.Please help with the descriptive steps. Thank You.

01 February 2016 5,492 2 View

How theoretical molecular excitation occurs ..?

I would like to know how theoretical excitation of a molecule occurs when we are using TDDFT.What sorts of conclusions can we gain through calculations..? I need to make explanation on it. Thank You.

31 December 2015 3,169 2 View

After a reference from Int J Body Compos Res, can any body help?

Hi, I am after the reference below, my library says it cannot obtain a copy either locally or internationally, any help appreciated! Chris Wang ZM, Heshka S, Wielopolski L, Pi-Sunyer FX, Pierson...

03 March 2021 6,193 1 View

Irradiation data for JAPAN?

Hi, Could you help me to get the latest (2019, 2020) solar resource data for a particular site in JAPAN? PV GIS and NSRDB data are not in reach to JAPAN, I'm looking for some other database for...

03 March 2021 961 3 View

Energy minimization in LAMMPS using NVT ?

How do I do energy minimization in lammps with NVT ensemble ? I am using the following command and it does not seem to work. It stops at extremely high energy and gives me the error zero search...

01 March 2021 2,294 3 View

How can I edit suggested publications?

Hi there! I regularly receive suggestion about papers and authors that are totally out of my area. Does anybody know how I can fix this? Thank you!

01 March 2021 9,574 4 View

How can i resolve the "final solutuin is not converged" error in Comsol for my heat transfer simulation??

I have been trying to simulate heat transfer problem in Comsol 5.5 for long time but it always throw an error stating: "Failed to find a solution. Maximum number of Newton iterations...

28 February 2021 8,626 3 View

Mediation path analysis - Can I run two seperate models?

I am wanting to run a serial mediation model with 2 x IVs, 2 x MVs, and 3 DPs (all continuous). Is it problematic to run 2 different models for each IV, keeping the MVs and DPs the same in each...

27 February 2021 5,681 3 View

How to calculate Ligand-active site distance in a ligand-protein complex from MD simulation?

I have run a MD simulation of a ligand-protein complex in GROMACS using CHARMM forcefield. Reviewer has asked me to calculate Ligand-activesite distance and binding free energy of ligand with...

27 February 2021 4,703 1 View

How to approach CFD simulation results of a flow past a cylinder?

Hi all, I'm doing a transient simulation of flow past a rectangular cylinder close to the free surface. As far as I'm concerned, the common practice is to discard the initial stages of the...

25 February 2021 1,348 3 View

Why do the air flow results vary totally when adding scalar in CFD ?

Dear All, We are using Autodesk cfd to calculate the air flow in a single sided naturally ventilated room, where air flow depends only on buoyancy due to temperature difference between inside and...

25 February 2021 9,602 4 View

How to model Supercritical water gasification (SCWG) process in Homer software?

Hi everyone How to model Supercritical water gasification (SCWG) process in Homer software?

25 February 2021 4,075 1 View