QUALIFICATION:
- Ph.D
- M.Phil
- M.Sc
Areas of Expertise/Interest
- Computation Chemistry, Electronics
Research / Industrial Experience:
S.No. | Designation | Name of the Institution / Industry | Date of Joining | Date of Relieving | Total years-months |
1 | Research Scholar | Loyola College | 2002
|
2003 | 1 years |
2 | Ph.D Scholar | Pachaiyappa’s College | 2009
|
2013 | 4 years |
List of Publications – Books:One Book
S.No. | Title of the Book | Authors | Publisher | ISBN | Month and Year of publication |
1 | Microprocessor 8085 & 8086 | G.R.Ramkumaar | Sams Publishers
|
978-81-906369-4-0 | 2008 |
Reviewer-Book/Journals/proceedings: Enclosed
S.No. | Title of the Book | Title of the Journal | Title of the paper | Title of the proceedings | Name of the conference | National/
International |
Month and Year of publication
|
ISBN/
ISSN |
Affiliating institution at the time of publication | Publisher |
1 | Journal of Molecular Structure | Experimetnal (FTIR, FT-Raman, UV-Vis, 1H and 13C NMR) and computational (Density Functional Theory) studies on 3-bromophenylboronic acid |
|
|
May 2014
|
|
||||
2 | Analytical Letters | Discrimination of DNAs fromsalmonella serovars before and after uv degradation, using fourier transform infrared spectroscopy and chemometric methods |
|
|
January 2020 |
|
Taylor & Francis | |||
3 | Chemical Biology & Drug Design | Structural, Vibrational and Kinetic Analysis of a Series of Ibuprofen Derivatives by Using Ab-Initio Quantum Mechanical Calculations | November 2019 | |||||||
4 | Journal of Biomolecular Structure & Dynamics | Observation of Quantum Signature in Rivastigmine Chemical Bond Break-up and Quantum Energetics, Spectral Studies of AntiAlzheimer Inhibitors | November 2019 | |||||||
5 | Heliyon | Density functional theory, molecular docking and bioassay studies on (S)-2-hydroxy-N-(2S,3S,4R,E)-1,3,4 trihydroxyicos-16-en-2-yl)tricosanamide | October 2018 | |||||||
6 | Journal of the Chinese Chemical Society | Spectral Characterizationand Density Functional Theorycalculations of (R)-5-(1, 2-dithiolan-3-yl)pentanoic acid | October 2018 | |||||||
7 | SpectrochimicaActa Part A: Molecular and Biomolecular Spectroscopy | Computational study of the vibrational spectroscopic studies, natural bond orbital, frontiermolecular orbital and non-linear optical properties of acetophenonethiosemicarbazone molecule | July 2013 | |||||||
8 | SpectrochimicaActa Part A: Molecular and Biomolecular Spectroscopy | DFT studies on vibrational spectra, HOMO–LUMO, NBO and thermodynamic function analysis of cyanuric fluoride | September 2014 | |||||||
9 | SpectrochimicaActa Part A: Molecular and Biomolecular Spectroscopy | One and multiple bonds interatomic spin-spin coupling in η6-Cymene Ru(II) of 3,5-dimethyl-,3,5-dicarboxylic- and 5-phenyl-pyrazole derivatives | November 2014 |
List of Publications(UGC Listed) – Journals: 39 journals
S.No. | Title of the paper | Authors | Journal Name | Volume | pages | ISSN |
Month and Year
|
Publisher
|
1 | Experimental and Theoretical Approach Studies for 7- (1,3-Dioxolan-2-yl methyl)-3,7-Dihydro-1,3-Dimethyl-1h-Purine-2,6-Dione Using DFT | M.Suhasini, E.Sailathaa, S.Gunasekaran, G.R.Ramkumaar | Der Pharmacia Lettre | 9 (12) | 23-45 | 2017 | ||
2 | Structural, optical, thermal and NLO behaviour of zinc hydrogen maleate dihydrate single crystal | S.Karuna, A.R.Balu, S.Muthu, D.Shyamala, Z.Delci, G.R Ramkumaar | Materials Science-Poland | 35(4) | 773-784 | 2017 | ||
3 | Quantitative Analysis of Anti-Hypertensive drugs in Association (combination therapy) using IR and UV-Visible spectroscopy | B.Latha, S.Gunasekaran, S.Srinivasan, G.R.Ramkumaar | International Journal of Materials Science | 12(2) | 0973-4589 | 2017 | ||
4
|
Ab initio and density functional theory calculations of molecular structure and vibrational spectra of 4-(2-Hydroxyethyl) piperazine-1-ethanesulfonic acid | J. Sharmi Kumar, T.S. Renuga Devi, G.R. Ramkumaar | SpectrochimicaActa Part A: Molecular and Biomolecular Spectroscopy
|
152
|
509–522
|
|
2016
|
|
5
|
Vibrational spectroscopic (FT-IR, FT-Raman), NMR and electronic structure calculations of metaxalone | M. Boopathi, P. Udhayakala and G. R. Ramkumaar | Der Pharma Chemica | 8(7) | 161-172 | 2016 | ||
6 | Spectroscopic characterization and DFT exploration of 2-(4-methoxybenzyloxy)-4-methylquinoline | M. Boopathi, P. Udhayakala, G. R. Ramkumaar and T. S. Renuga Devi | Der Pharma Chemica | 8(15) | 187-197 | 2016 | ||
7 | Spectral analysis and quantum chemical calculations of 4-(2-keto-1-benzimidazolinyl) piperidine | M. Boopathi, P. Udhayakala, G. R. Ramkumaarand T. S. Renuga Devi | Der Pharma Chemica | 8(14) | 89-99 | 2016 | ||
8 | Vibrational and electronic investigations, thermodynamic parameters, HOMO and LUMO analysis on Lornoxicam by density functional theory | M. Suhasini, E. Sailatha, S. Gunasekaran, G.R. Ramkumaar | Journal of Molecular Structure
|
1100 |
116-128 |
|
2015 |
|
9 | Molecular structure, spectroscopic characterization of (S)-2-Oxopyrrolidin-1-yl Butanamide and ab initio, DFT based quantum chemical calculations | T. Ramya, S. Gunasekaran, G.R. Ramkumaar | SpectrochimicaActa Part A: Molecular and Biomolecular Spectroscopy
|
149
|
132–142
|
|
2015
|
|
10 | Molecular structure and spectroscopic characterization of Carbamazepine with experimental techniques and DFT quantum chemical calculations | M. Suhasini, E. Sailatha, S. Gunasekaran, G.R. Ramkumaar | SpectrochimicaActa Part A: Molecular and Biomolecular Spectroscopy | 141 | 252-262
|
2015 | ||
11 | DFT analysis on the molecular structure, vibrational and electronic spectra of 2-(cyclohexylamino)ethanesulfonic acid | T.S. Renuga Devi, J. Sharmikumar, G.R. Ramkumaar | SpectrochimicaActa Part A: Molecular and Biomolecular Spectroscopy | 137 | 761-777 | 2015 | ||
12 | Quantum chemical density functional theory studies on the molecular structure and vibrational spectra of mannitol | P.P. Moorthi, S. Gunasekaran, S. Swaminathan, G.R. Ramkumaar | SpectrochimicaActa Part A: Molecular and Biomolecular Spectroscopy | 137 | 412-422 | 2015 | ||
13 | Vibrational, UV spectra, NBO, first order hyperpolarizability and HOMO–LUMO analysis of carvedilol | N. Swarnalatha, S. Gunasekaran, M. Nagarajan, S. Srinivasan, G. Sankari, G.R. Ramkumaar | SpectrochimicaActa Part A: Molecular and Biomolecular Spectroscopy | 136 | 567-578 | 2015 | ||
14 | Quantum chemical studies on structural, vibrational, NBO and hyperpolarizability of N-(1,1-Dimethyl-2-hydroxyethyl)-3-amino-2-hydroxypropanesulfonic acid | T.S. Renuga Devi, J. Sharmikumar, G.R. Ramkumaar | SpectrochimicaActa Part A: Molecular and Biomolecular Spectroscopy | 136 | 1500-1514 | 2015 | ||
15 | Spectroscopic studies and molecular structure investigation on 2-chloro-4-(trifluoromethyl) pyridine | M. Boopathi, P. Udhayakala, G. R. Ramkumaar, T. V. Rajendiran and S. Gunasekaran | Der Pharma Chemica | 7(9) | 110-121 | 2015 | ||
16 | Density Functional Theory, Restricted Hartree- Fock Simulations and FTIR, FT-Raman Studies on Gabapentin | T. Ramya, S. Gunasekaran, G.R. Ramkumaar | Int J Pharm Bio Sci | 6(4) | 236 – 250 | 2015 | ||
17 | Molecular Structure, Vibrational Spectra, UV-Visible and NMR Spectral Analysis on Ranitidine Hydrochloride using AB Initio and DFT Methods | P. Ramesh, S. Gunasekaran and G. R. Ramkumaar | Int. J. Curr. Res. Aca. Rev | 3(11) | 117-138 | 2015 | ||
18 | Experimental (FT-IR, FT-Raman, UV-vis spectra) and theoretical (RHF and DFT) investigation and NBO analysis on the structure of sustiva (EFV) HIV drug | G.R.Ramkumaar, T.J.Bhoopathy, S.Gunasekaran, B.Prameena and S.Srinivasan | Elixir Vib. Spec. | 75 | 27440-27446 | 2014 | ||
19 | Computation and interpretation of vibrational spectra on the structure of Losartan using ab initio and Density Functional methods | B. Latha, S. Gunasekaran, S. Srinivasan, G.R. Ramkumaar | SpectrochimicaActa Part A: Molecular and Biomolecular Spectroscopy | 132 | 375–386 | 2014 | ||
20 | DFT simulations and vibrational spectra of 2-Amino-2-Methyl-1,3-Propanediol | T.S.Renuga Devi, J.Sharmikumar and G.R.Ramkumaar | SpectrochimicaActa Part A: Molecular and Biomolecular Spectroscopy | 133 | 214–222 | 2014 | ||
21 | Natural bond orbital analysis, electronic structure and vibrational spectral analysis of N-(4- hydroxyl phenyl) acetamide: A density functional theory | P.Govindasamy, S.Gunasekaran and G.R.Ramkumaar | SpectrochimicaActa Part A: Molecular and Biomolecular Spectroscopy | 130 | 621–633 | 2014 | ||
22 | Spectroscopic investigation on glutamic acid by coulomb-attenuating and double hybrid density functional theory method | G.R.Ramkumaar, M.Babyshalini, S.Gunasekaran and S.Srinivasan | Molecular simulation | DOI:10.1080/08927022.2014.886018 | ||||
23 | Vibrational Spectroscopic studies of 2’-3’-didehydro-2’-3’-dideoxythymidine using Density functional theory method | G.R.Ramkumaar, S.Srinivasan, T.J.Bhoopathy, S.Gunasekaran, and B.Prameena | Journal of molecular structure | 1059 | 185–192 | 2014 | ||
24 | Vibrational Spectroscopic studies of Isoleucine by Quantum chemical calculations | P.P.Moorthi, S.Gunasekaran, and G.R.Ramkumaar | SpectrochimicaActa Part A: Molecular and Biomolecular Spectroscopy | 124 | 365–374 | 2014 | ||
25 | Structural, optical, electron paramagnetic, thermal and dielectric characterization of chalcopyrite | B.Prameena, G.Anbalagan, S.Gunasekaran, G.R.Ramkumaar, B.Gowtham | SpectrochimicaActa Part A: Molecular and Biomolecular Spectroscopy | 122 | 348–355 | 2014 | ||
26 | Molecular structure, vibrational spectra, UV–vis, NBO, and NMR analyses on nevirapine using ab initio DFT methods | G.R.Ramkumaar, S.Srinivasan, T.J.Bhoopathy, S.Gunasekaran, Julie Charles and J.Ramesh | Journal of Theoretical and Applied Physics | 7:51 | 2013 | |||
27 | Vibrational Spectroscopic Studies of tenofovir Using Density Functional Theory Method | G.R.Ramkumaar, S.Srinivasan, T.J.Bhoopathy and S.Gunasekaran | Journal of Chemistry | Article ID 126502 | 12 pages | 2013 | Hindawi publishing corporation | |
28 | Density functional theory, restricted Hartree-Focksimulations and FTIR, FT-Raman and UV-Vis spectroscopic studies on lamotrigine | T.Ramya. S.Gunasekaran and G.R.Ramkumaar | SpectrochimicaActa Part A: Molecular and Biomolecular Spectroscopy | 114 | 277-283 | 2013 | ||
29 | Behaviour of Indian natural Baryte mineral | B.Prameena, G.Anbalagan, V.Sangeetha, S.Gunasekaran and G.R.Ramkumaar | International Journal of ChemTech Research | 5(1) | 220-231 | 2013 | ||
30 | Experimental (FT-IR, FT-Raman, UV-vis spectra) and theoretical (RHF and DFT) investigation and NBO analysis on the structure of sustiva (EFV) HIV drug | G.R.Ramkumaar, T.J.Bhoopathy, S.Gunasekaran, B.Prameena and S.Srinivasan | Elixir International Journal (Vibrational Spectroscopy) |
63 |
18017-18023 | 2013 | ||
31 | Experimental and Theoretical Investigation and NBO Analysis On The Structure Of Efavirenz HIV Drug | G.R.Ramkumaar, T.J.Bhoopathy, S.Gunasekaran, C.Gokilan, S.Srinivasan, and Julie Charles | International Journal of ChemTech Research | 5(5) | 2563-2574 | 2013 | ||
32 | Quantum chemical and experimental studies on polymorphism of antiviral drug Lamivudine”, SpectrochimicaActa Part A: Molecular and Biomolecular Spectroscopy | G.R.Ramkumaar, S.Srinivasan, T.J.Bhoopathy and S.Gunasekaran | SpectrochimicaActa Part A: Molecular and Biomolecular Spectroscopy | 98 | 265–270 | 2012 | ||
33 | Molecular geometry, vibrational spectra, atomic charges, frontier molecular orbital and Fukui function analysis of antiviral drug zidovudine | G.R.Ramkumaar, S.Srinivasan, T.J.Bhoopathy and S.Gunasekaran | SpectrochimicaActa Part A: Molecular and Biomolecular Spectroscopy | 99 | 189–195 | 2012 | ||
34 | Quantum chemical and experimental studies on anti-viral drug Lamivudine (3TC) | G.R.Ramkumaar, S.Srinivasan, T.J.Bhoopathy and S.Gunasekaran | Elixir online journal | 48 | 9503-9508 | 2012 | ||
35 | Theoretical and experimental studies of vibrational spectra and thermal analysis of 2-nitroaniline and its cation | S.Azhagiri, G.R.Ramkumaar, S.Jayakumar, S.Kumaresan, R.Arunbalaji, S.Gunasekaran and S.Srinivasan | Journal of molecular modelling | 16(1) | 87-94 | 2010 | ||
36 | FTIR and Thermal Studies on Polyethylene Terephthalate and Acrylonitrile Butadiene Styrene | Julie Charles and G.R.Ramkumaar | Asian Journal of Chemistry | 21(6) | 4389-4398 | 2009 | ||
37 | FTIR and Thermal Studies on Nylon-66 and 30% Glass Fibre Reinforced Nylon-66 | Julie Charles, G.R.Ramkumaar, S.Azhagiri and S. Gunasekaran | E-Journal of Chemistry | 6(1) | 23-33 | 2009 | ||
38 | Qualitative Analysis of High Density Polyethylene Using FTIR Spectroscopy | Julie Charles and G.R.Ramkumaar | Asian Journal of Chemistry | 21(6) | 4477-4484 | 2009 | ||
39 | Analysis on suitability of pure and α-Histidine doped KDP crystals in high speed applications | S.Gunasekaran and G.R.Ramkumaar | Indian Journal of Physics | 83 (11) | 1549-1555 | 2009 |
Resource person – Chief guest, Guest of honour, Invited/Plenary Lecture delivered and chairing a session (Univeristy, College and any other Educational institutions): One Invited talk
S.No. | Title of the Lecture | Chairing a session | Name of the Event | Organizer | Venue | Date |
1 | Computational Modelling for solids via DFT and Quantum chemical methods | Invited talk | International Conference on Materials and Spectroscopy | Dept. of Physics, Saveetha Engineering College, Chennai
|
Saveetha Engineering College, Chennai
|
11-12th December 2018
|
Orientation: One Course
S.No. | Course | Organizer | Venue | Date (From – to) | Duration | Affiliating university |
1 | Orientation Programme, Batch – 126 | UGC – Human Resource Development Centre | University of Madras |
05.05.2016 to 01.06.2016 |
28 days
|
University of Madras |
Refresher course: Two Courses
S.No. | Course | Organizer | Venue | Date (From – to) | Duration | Affiliating university |
1 | Refresher Course on Physics, Batch-XV | UGC – Academic Staff College | University of Madras | 15.11.2006
to 05.12.2006
|
21 days
|
University of Madras |
2 | Summer School – Refresher Course on Physics, Batch-XX | UGC – Human Resource Development Centre | University of Madras | 23.05.2017
to 12.06.2017
|
21 days
|
University of Madras
|
3 | UGC SPONSORED ONLINE REFRESHER COURSE IN PHYSICS | UGC Human Resource Development centre | Pondicheery University (ONLINE) | 04.08.2021
to 17.08.2021 |
14 days | Pondicherry Univeristy |
4 | UGC SPONSORED ONLINE REFRESHER COURSE IN PHYSICS | UGC Human Resource Development centre | University of Madras (ONLINE) | 09.09.2022
to 22.09.2022 |
14 days | University of Madras |
International / National conferences/workshops/seminars– Organized: One workshop
S.No. | Name of the conference | Responsibility | Venue and Date |
1 | Workshop on Growth and Characterization studies on Non-Linear Optical Crystals |
Convener |
CKN College, Chennai
1st October 2019 |
International and National conferences/workshops/seminars–papers presented: 7 papers
S.No. | Title of the paper presented | Name of the conference
|
Venue
and Date
|
1 | Ultrasonic motors | Internal conference on Recent Advancements in Material Science (NewPhy 2020) | The New College, Chennai,
21stJanuary 2020 |
2 | Computational Modelling for Solids via DFT and Quantum Chemical methods | International Conference on Materials and Spectrocospy
ICMS-2018 |
Saveetha Engineering College, Thandalam, Chennai, Tamil Nadu, 11th&12th
December 2018 |
3 | Experimental and Theoretical (CAM-B3LYP) Investigation on ABS Copolymer | International Conference on Recent Advances in Physics 2013
ICRAP 2013 |
Sri VidyaMandir Arts and Science College, Uthangarai, Krishnagiri, Tamil Nadu, India,
12th& 13th August 2013 |
4
|
Spectroscopic studies on Temozolomide by ab initio and DFT methods | National Conference on Perspectives in Lasers and Spectroscopy
NCPLAS 2013 |
Dr. M.G.R University, Chennai,
15th February 2013 |
5
|
FTIR and FT-RAMAN spectra, ab initio HF and DFT analysis of Zidovudine | National Conference on
Spectrophysics NCONS 2012
|
Pachaiyappa’s College, Chennai
7 & 8th March 2012 |
6 | Vibrational spectra and quantum chemical calculations of antiretroviral drugs: Lamivudine | National Conference on Recent Advances in Applied Sciences, NCRAAS 2012
|
Dr. M.G.R University, Chennai
10th& 11th February 2012 |
7 | Qualitative and Quantitative Analysis on Fibrates” – A Spectroscopic Study | National Conference on Recent Advances in Physics
NCRAP 2008 |
Pachaiyappa’s College, Chennai
1st& 2nd February 2008 |
International and National conferences/workshops/seminars– attended (not organized): 10 Workshop/Conference
S.No. | Name of the Conference/Workshop/Seminar | Venue and Date |
1 | Workshop on Internal Quality Assurance Cell (IQAC) (Mentor – Paramarsh scheme) | SRM Institute of science and technology, Kattankulathur, Chengalpattu District,
Tamil Nadu, India,23rdJanuary 2020 |
2 | State Level Inter-College Workshop on Identification and supporting Dyslexic students | D G Vaishnav College, Arumbakkam, Chennai, Tamil Nadu, India,
5thFebruary 2019 |
3 | One Day National Level Workshop on Computer Simulations to Enchance Physics Learning | D G Vaishnav College, Arumbakkam, Chennai, Tamil Nadu, India,
30th November 2018 |
4
|
Organizational Training Camp on Impact of Globalization on Higher Education | AUT, Pachaiyappas College, Chennai,
29th December 2018 |
5 | State Level Workshop on Molecular Docking | D G Vaishnav College, Arumbakkam, Chennai, Tamil Nadu, Indis
19th September 2018 |
6 | National Conference On SOL-GEL Coatings (NCSGC-2015) | Velammal Engineering College, Velammal Nagar, Chennai, India, 2015 |
7 | International Conference on Recent Advances in Physics 2013 (ICRAP 2013) | Sri VidyaMandir Arts and Science College, Uthangarai, Krishnagiri, Tamil Nadu, India, 12th& 13th August 2013 |
8 | Workshop on Practical Troubleshooting in Electronics, Microprocessor & Microcontroller Experiments | Ethiraj College for Women, Chennai,
1st& 2nd February 2013 |
9 | Workshop in Physics – Computational Physics | Stella Maris College, Chennai,
23rd& 24th January 2009 |
10 | Workshop in Physics – Microprocessor Fundamentals | Valliammal College for Women, Chennai,
15thto 17th May 2006 |
Member – Board of Studies, Doctoral Committee, Special Committee, etc.:
S.No. | Name of the Committee | Name of the institution | Date and duration |
1 | Doctoral Committee | Dr.M.G.R University, Chennai | 2018, 2019
|
2 | Doctoral Committee | C. Kandaswami Naidu College for Men, Chennai | 2020 |
Examination committee:
S.No. | Name of the Examination | Institution | Date and duration |
1 | Assistant to Additional Examiner | C. Kandaswami Naidu College for Men, Chennai |
November 2016 |
2 | Assistant to Additional Examiner | C. Kandaswami Naidu College for Men, Chennai |
April 2017 |
3 | Assistant to Additional Examiner | C. Kandaswami Naidu College for Men, Chennai |
November 2017 |
4
|
Assistant to Additional Examiner | C. Kandaswami Naidu College for Men, Chennai | April 2018 |
5 | Assistant to Additional Examiner | C. Kandaswami Naidu College for Men, Chennai | April 2019 |
External Examination –question paper setting:
S.No. | Name of the Examination | Institution | Date and duration |
1 | M.Sc (IT) | Thiruvalluvar University | 15.07.2011, 30.08.2013
|
2 | B.Sc Physics with Computer Applications | D G Vaishnav College, Arumbakkam, Chennai, Tamil Nadu, India | 29.08.2017, 10.08.2016
|
3 | B.Sc Physics | Government Arts College for Men, Nandanam, Chennai | 02.08.2017 |
4
|
B.Sc Physics | Women Chirstian College, Chennai | 28.02.2018, 05.09.2018, 07.02.2019, 07.02.2020 |
5 | B.Sc Physics | Gurunanak College, Chennai | 11.01.2020, 06.09.2018, 15.2.2018, 27.06.2017, 18.08.2016 |
External Examination –Valuation:
S.No. | Name of the Examination | Institution | Date and duration |
1 | B.Sc Physics | University of Madras | May 2009 to December2019 |
2 | B.Sc Physics Practical | Anna Adarsh College for Women, Chennai |
24.03.2017 to 28.03.2017 |
3 | B.Sc Physics with Computer Applications | DG Vaishnav College, Chennai | 15.03.2016 to 19.03.2016
|
4
|
B.Sc Physics – Practical | Wcmen’s Christian College, Chennai | 18.09.2018 & 3 hours |
Association activity:
S.No. | Name of the Association | Responsibility | Date of Joining | Date of Relieving |
1 | Association Meeting by Dept. of Physics | Dept. of Physics | 01.02.2020
|
01.02.2020
|
NSS and NCC activity:
S.No. | Name of the Activity/Responsibility | Date of Joining | Date of Relieving |
1
|
Pre Commision Training – NCC Navy wing | 03.06.2019 | 31.08.2019 |
College committee or any other activity:
S.No. | Name of the Activity/Responsibility | Date of Joining | Date of Relieving |
1 | Discipline committee Member | CKN College, Chennai | 2014-2019
|
Any other extracurricular and Co-curricular activities (Institution/University related):
- NCC social activities