Alamgir Khan

Questions and Answers (44) View all

• Answer added in Analytical Research
  292 Should open access publications be encouraged?
  By Alex James · Institute of Electrical and Electronics Engineers
  Alamgir Khan · Universidade Estadual de Campinas

  We need to change the standard of evaluations like we have some journals who demand for referees from the authors, the authors wrote the name of their... [more]

  We need to change the standard of evaluations like we have some journals who demand for referees from the authors, the authors wrote the name of their friends. And the friends as reviewer do not comment critically and in this way, low quality work is published day and night in the journals of lower grade.
  Following
• Answer added in Raman Spectroscopy
  23 Can anyone explain how to deconvolute Raman peak by using Origin 8.0?
  By shamsul faez mohamad yusop · Universiti Teknologi MARA
  Alamgir Khan · Universidade Estadual de Campinas

  @Svetlana Do you know the english translated formate of the tutorial?? 

  @Svetlana Do you know the english translated formate of the tutorial??
  Following
• Answer added in Cheminformatics and Computational Chemistry
  3 I am using Dalton2011 electronic structure progam, for the calculation of electronic excitation energies for a series of molecules.
  By Alamgir Khan · Universidade Estadual de Campinas
  Alamgir Khan · Universidade Estadual de Campinas

  Thank you very much Tatiana.... 

  Thank you very much Tatiana....
  Following
• Answer added in Cheminformatics and Computational Chemistry
  3 I am using Dalton2011 electronic structure progam, for the calculation of electronic excitation energies for a series of molecules.
  By Alamgir Khan · Universidade Estadual de Campinas
  Alamgir Khan · Universidade Estadual de Campinas

  This Error generally appears, when the Dalton fails to read to the basis functions. Mostly when we have incorrect number of contracted functions (too... [more]

  This Error generally appears, when the Dalton fails to read to the basis functions. Mostly when we have incorrect number of contracted functions (too few) or there is an error in the formate. Some times, there is difference in the formate of basis functions present in the basis folder of Dalton2011 program. So, you need to change the basis set formate there. I faced this problem for Sadlej basis set..
  Following
• Answer added in Theoretical Chemistry
  25 How can we define symmetry in calculated vibrational modes.
  By Vikas Baboo · University of Lucknow
  Alamgir Khan · Universidade Estadual de Campinas

  In molden, we use the normal mode option, Which read the .out file of gamess and dalton. In case of molplot, we use the .dat file of gamess. 

  In molden, we use the normal mode option, Which read the .out file of gamess and dalton. In case of molplot, we use the .dat file of gamess.
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