Web-building final design on 29th Jan. 2013 at Lucknow
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DR.S.ARAVAMUDHAN
http://www.ugc-inno-nehu.com/
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   BIODATA                    CONTACT INFO
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   http://nehuacin.tripod.com

Phone Mobile: +919862053872
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100th ISC Calcutta-IBS2013 Mumbai-CRSI2013-Varanasi-ICETCS2013-Gandhinagar

Go To 100th ISC2013         Go To IBS2013        Go To CRSI2013        Go To ICETCS2013          Jump to Postings for ISMAR2013          AOP2013


Go To 100th ISC2013         Go To IBS2013        Go To CRSI2013        Go To ICETCS2013         Jump to Postings for ISMAR2013          AOP2013

100th ISC 2013/Calcutta University/3rd to 7th Jan.2013

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Registration-Accommodation-Travel-Request-FORM
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RESubmission_Abstract_FullPaper_ISC2013          Submission_Abstract_FullPaper_ISC2013          isc100_Abstract & FullPaper_Aravamudhan

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Account Statement received from 100th ISC Secreatariat
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Receipt for Accommodation balance paid on site
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Assigned as Chairman for the Session "Oral Presentations" by the Sectional President, Chemical Sciences: received the following Token Presentation for Chairing the Session

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IBS2013/MumbaiUniversity/13th to 16th Jan.2013


E-Abstract Book-IBS2013


IBS2013-Certificate of Participation


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CRSI2013/7th RSC on 31st Jan. 2013
and NSC15 from 1st to 3rd Feb.2013

Banaras Hindu University, Varanasi

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Documentation:   CLICK HERE  for postings/participation/NSC15 & poster 225 site


The phtographs below posted on 3rd Feb 2013 at Varanasi
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Participated in the RSC Events at NCL Pune
http://www.ugc-inno-nehu.com/Booking-RSC-events-NCL.doc



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ICETCS2013/14-15th March 2013
Central University of Gujarat, Gandhinagar, GUJARAT

ICETCS2013-CUG: feature below, added on 26th Mar. 2013 at Shillong
the University website is at URL: http://www.cug.ac.in/
the University website is at URL: http://www.cug.ac.in/
the University-ICETCS2013 website is at URL: http://www.cug.ac.in/ICETCS2013/


         List of Invited Speakers ICETCS2013          PROGRAMME SCHEDULE ICETCS2013         SCHEDULE for POSTERS ICETCS2013        


 In  Programme ICETCS2013
the University website is at URL: http://www.cug.ac.in/

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Above: facsimile of Abstract book front cover                               facsimile of Abstract-page                       


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This column added on 24th April 2013, at NEHU Shillong

Contents of the invited lecture have been made available below for download.
This link displays the directory icetcs-cug2013  which in turn holds 4-subdirectories.
Below each one of these 4-subdirectories are given an explicit link:
1.   0-1-Dipole-Moment
2.   0-2-Specific-Water-interct-Amino
3.   0-3-HydroniumIon
4.   0-4-ChiralDescrimination
These directories contain a powerpoint presentation file which is to be displayed. The remaining files in the folder are displayable as hyperlinks during the "show" of ppt files.
There are more hyperlinks in the ppt file and they are downloadable from internet directly by clicking on the link, provided the system remains connected to the internet.
With the above provisions it is suggested that all the subfolders all be downloaded and saved into a single folder in the PC resident disc. The ppt files downloaded thus and saved may not open depending on the differences in the default installation settings of the MS PPT application in the resident disk. For any difficulties send email to the author: inboxnehu_sa@yahoo.com
The contents of the presentation files at links 1-3 above have been described in 22 pages (poster dispaly at  CRSI2011-13NSC  and can be downloaded as pdf files from link  HERE .The Contents of presentation file at link 4 above have been  displayed  in the  
9 poster-sheets  at the   CRSI2013-15NSC.
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ISMAR2013
Rio de Janeirio RJ, Brazil

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Postings on this event started: 1st April 2013

SUBMITTED ABSTRACT
Calculating Intra-molecular Proton Shielding Tensors
Using Magnetic Dipole model; Possible Procedures and Prerequisits


S.Aravamudhan
Department of Chemistry, North Eastern Hill University
Shillong 793022 Meghalaya; INDIA

    The necessity for trying to calculate the intra molecular proton shielding tensor has been enumerated in the introduction by this author(1). A feasibility study has been reported (2) at the ISMAR-CA’98. Those results indicated that it seemed possible to obtain results which can be compared with experimental values for the case of the peripheral proton in the benzene ring, However, at that time, no comparison with QM calculations were made though the comparison with experimental results on aromatic protons was reported. Moreover, the contribution of the C-H bond susceptibility to the proton bonded to that carbon could not be used for reasons of reasonable validity of the point dipole approximation. The effort to apply the magnetic dipole model for the calculation of demagnetization factors (3) proved that depending on the parameters used for fragmenting a susceptibility tensor, the point dipole approximation could become valid better even at much closer proximity to the proton location (4). Thus, the possibility of using this model for details could be envisaged typically for the case of benzene molecule (5). In the present contribution, the results obtained earlier (2) could be improved, and a comparison of the results of the use magnetic dipole model could be compared also with the QM calculations of Shielding Tensors. In addition as envisaged in (4) and (5) the C-H bond contribution to the shielding of the attached proton could also be added for inclusion instead of trying to use a value derived from QM calculations on ethylene proton. These results would be discussed in view of the necessary further improvements. Such efforts might eventually provide an explanation to the remark made earlier (6) about the atom and bond susceptibility tensors obtained from the very same set of Molecular Susceptibility values.
        (1)  http://saravamudhan.tripod.com/index.html
        (2)  http://saravamudhan.tripod.com/id2.html
        (3)  http://saravamudhan.tripod.com/id4.html
               http://saravamudhan.tripod.com/id5.html
               http://www.ugc-inno-nehu.com/isc2009nehu.html
        (4)  http://saravamudhan.tripod.com/id6.html
               http://nehuacin.tripod.com/pre_euromar_compilation/id5.html
               http://nehuacin.tripod.com/id6.html
        (5)  http://saravamudhan.tripod.com/id3.html
        (6)  On page-682,at the end of first column by W.H.Flygare,Chemical Reviews, Vol.74, page-653(1974).

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as on 14th May 2013....
Due to personal reasons, I did not proceed to complete the Registration for making the presentation at the venue of the ISMAR2013, even after considerate, timely reminders from the organizing committee. I sincerely thank the organizers for accepting the materials of the abstract for presentation, and I regret that I could not avail this occasion of ISMAR2013. I have made a sketchy collection of the present results which are to have been put up in the poster at Rio dejeneiro, RJ, Brazil, and related materials .
S.Aravamudhan
Inserted while on Camping at Home Town: MADRAS





...as on 12th Jan. 2014
The Contents on above topic have been included for the presentation at the 101st Indian Science Congress Session-2014 at Jammu University, JAMMU (to be held during Feb 3-7, 2014) with additional results included which could be obtained during the time preceeding this ISC2014. The corresponding presentation file can be downloaded from link ---->:     http://www.ugc-inno-nehu.com/isc2014-venue.ppt
S.Aravamudhan
Inserted while at CUG, Gandhi Nagar, Gujarat


The contents of files (Hotlinks) below can demonstarte the trends as implied in the submitted abstract. The results of the present calculations are given in few sheets without much comments. Description of such nature would enlist what the furure course of investigations to clarify what is not evident as much as the Flygare's observation in Reference 6 in the abstract. nevertheless, it is significant improvement and encouraging trend for the possibility of calculating intra molecular shielding tensors by the magnetic dipole model. Obviously the point is to secure adequately convincing set of susceptibility tensor values for the molecule as a whole and for the fragments (groups/bonds) in the molecules.Most of the introductory materails are from the internet documentation of this author referred to in the abstract for ismar 2013.

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01-ismar2013/01-summary.jpg
02-Abst-ismarCA98-concl-56pc.jpg
03-Ismar_CA98_results.jpg
04-fragmnt-moment-contrib-radvectr.jpg
05-moments-radvectr.jpg
06-moments-packing.jpg
07-summproc-intramolec-shielding.JPG
08-C-Hbond-calculations.JPG
09-bnzn-atom-coordinates-QMinput.JPG
10-DCs-trasnformation-MD.doc
11-MolecularOrientation-CoordinatesofAtoms-CSTensor.JPG
12-BasisSetDependence-ChemicalShiftvalues.JPG
13-Sumry-CSValues-Benzene.JPG
14-links-ismar2013-results.pdf
15

First National Conference on

ADVANCED OXIDATION PROCESSES

Delegate-Dr.S.Aravamudhan
Hotlinks:
for Full Article:    http://nehuacin.tripod.com/AOP2013-full-article.pdf
for Presentation File:    http://nehuacin.tripod.com/aop-SA.ppt