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 fix Z-VECTOR FAILED TO CONVERGE in gamess

02 March 2016 7,806 0 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

Is SSRN e-Journal Scopus indexed?

I have publication in SSRN. I want to know whether it is Scopus indexed? Does it show impact factor? What is its ISSN No.?

02 March 2021 4,565 3 View

New Journal, "Integrative Psychological and Behavioral Science" -- do you not know, and have you not seen, this done before?

Question to you and THEM, the New Journal, "Integrative Psychological and Behavioral Science" -- do you not know, and have you not seen, this done before? There appears to be a core problem for...

02 March 2021 3,024 2 View

How to add a journal?

I would like to know how to register the journal Flora Montiberica (ISSN 1138-5952 - eISSN 1988-799X) in Research Gate.

02 March 2021 8,156 2 View

Is it possible to remove a preprint posted by a journal which is already rejected?

As we know many journals are posting preprints (DOI) in advance before the peer-review process. However, there is no guarantee that the preprints get published. The journal's reviewers undergo the...

01 March 2021 5,778 2 View

How Download/Extract citations of 1 given year ALL my publications in Google Scholar?

If you google this you find a lot of smart guys explaining you how to download 1 year of citations of 1 single paper of yours (or anyone else). I mean 1 year of ALL my papers. or ... ALL years or...

01 March 2021 1,121 9 View

No title

Hi, I have several doubts about one paper (Systematic Literature Review) that was rejected. The main topic is Single-Board Computers in engineering education during the period 2010-2020. The...

01 March 2021 9,015 3 View

How to figure out easily the right journal with the right scope for your paper?

According to my experience most of the selected journals during paper submission are based on journal text matching suggested results from Springer, Elsevier,,,Etc. then the manuscript happened to...

01 March 2021 1,786 3 View

Any research paper call for publication related to management or finance or economics?

It should be standard journal (Indexed)

01 March 2021 8,379 1 View

What is the most reliable source to get Impact factor of journals?

Source to get Impact factor of journals

01 March 2021 6,654 2 View

How to highlight novelty in your research paper?

I have come up with a method and had written a paper on it. Paper got rejected by a journal stating that there is no theoretical novelty. I am kind of confused on why the novelty that I am able to...

28 February 2021 2,393 8 View