ACADEMIC QUALIFICATIONS: RESEARCH FELLOWSHIP/ … · Shabbir Ahmad and A. Tauheed, “Photostimulated phosphor based image plate detection system for HRVUV beamline at Indus-1 synchrotron

ACADEMIC QUALIFICATIONS: Ph. D. (Physics), Aligarh Muslim University, Aligarh, 1990.

M. Phil. (Physics), Aligarh Muslim University, Aligarh, 1987. M.Sc. (Physics), Aligarh Muslim University, Aligarh (First Division) 1984.

B. Sc. (Hons.), Physics, Bihar University, Muzaffarpur (First Division) 1981.

RESEARCH FELLOWSHIP/ SCHOLARSHIP/AWARDS: A.M.U. Merit Scholarship, M.Sc. (1983-84). University Medal for standing First at M.Sc. Physics Examination 1984. JRF (NET), UGC, 1985-87. SRF, UGC, 1987-90. S.N. Nahar Distinguished Teacher of the Year 2012-2013. S.N. Nahar Teacher of the Year 2013-2014.

S.N. Nahar Teacher of the Year 2014-2015.

S.N. Nahar Distinguished Teacher of the Year 2015-2016.

TEACHING/RESEARCH EXPERIENCE:

Position University Period Nature of Duties

Lecturer A.M.U., Aligarh 07.12.1991 to 11.05.1998 Teaching & Research

Reader A.M.U., Aligarh 12.05.1998 to 31-12-2005 Teaching & Research

Associate Professor A.M.U., Aligarh 01.01.2006 to 07-08-2012 Teaching & Research

Professor A.M.U., Aligarh 08.08.2012 to till date Teaching & Research

Courses Taught at UG level: Atomic,Molecular and Laser Physics, Optics and

Electromagnetic Theory; Electronics, Electricity and

Magnetism, Mechanics. PG level: Experimental Techniques and Analytical methods, Physics

of Lasers and Laser Applications, Molecular

Spectroscopy, Laser Spectroscopy.

Dr. Shabbir Ahmad

(Professor)

Department of Physics,

A.M.U., Aligarh-202002

Phone: +919412501430

[email protected]

DETAILS OF RESEARCH WORK:

Area of Research:

1. Electronic and vibrational spectroscopy (FTIR and Laser Raman Spectroscopy) of polyatomic molecules and biomolecules.

2. Quantum chemical calculations using ab-initio Hartree-Fock, MP2 and Density

Functional Theory (DFT), Vibratioanl Second Order Perturbation Theory (VPT2),

Vibrational Self Consistent Field (VSCF, CC-VSCF) Theory.

Papers Published: 69

Paper Presented in Conferences: 64

Research Work Supervised: Ph.D.: 7

M.Phil.: 2

Ph.D. Students (working): 1

Research Projects:

1. Design and Development of image plate technique on the high resolution

vacuum ultraviolet (HRVUV) beamline at Indus-1 and its application to far

ultraviolet photoabsorption studies of atoms and molecules, Rs 34,93,100/- ,

Department of Atomic Energy, Govt. of India , 2011-13.

2. Lifetime measurements and structural studies of highly ionized atoms. NSC,

New Delhi, JRF and Rs 45,000/- contingency (2003-2005) 3. High resolution Doppler free diode laser spectroscopy of atoms. Rs. 7.32 lacks,

Department of Atomic Energy, Govt. of India, 1995-1998.

Reviewer of Journals:

Spectrochimica Acta (Elsevier) Journal of Molecular Structure (Elsevier ) Indian Journal of Physics (Springer) Indian J. Pure & Appl. Phys.( NISCAIR)

Membership of Societies:

Indian Society of Atomic and Molecular Physics (ISAMP) Laser and Spectroscopy Society of India (LASSI) Indian Laser Association (ILA)

ADMINISTRATIVE RESPONSIBILITIES:

Member of Departmental Committees/ Incharge/ Other: Laboratory Incharge, M.Sc. (Prev. Lab.)

Laboratory Incharge (Laser and Spectroscopy Lab.)

Incharge Workshop (Faculty of Science)

Member Research Committee (Convener)

Course Coordinator, Ph.D.

Coordinator, M.Sc/Ph.D. Admission Test

CONFERENCE ORGANIZED:

International Conference on Modern Spectroscopy, December 27-31, 1994

REFRESHER COURSE ORGANIZED:

FOR COLLEGE/UNIVERSITY TEACHERS

Coordinator, Refresher Course in Physics, April 10-May 9 (2001) Coordinator, Refresher Course in Physics (2006)

FOREIGN VISITS:

Visited Trieste-Italy for three weeks in February-March 1999.

Visited Turino-Italy for one week in March 1999.

Visited Trieste-Italy for seven weeks in July-August, 1993

PUBLICATIOS:

Research Publications in Journals

1. Mohammad Jane Alam, Azhar U. Khan, Mahboob Alam, Shabbir Ahmad

Spectroscopic (FTIR, FT-Raman, 1H NMR and UV–Vis) and DFT/TD-DFT studies on

cholesteno [4,6-b,c]-2′,5′-dihydro-1′,5′-benzothiazepine

Journal of Molecular Structure 1178 (2019) 570-582.

2. Mohd. Faizan, Ziya Afroz, Mohammad Jane Alam, V. H. N. Rodrigues, Shabbir Ahmad,

Afaq Ahmad

Structural, vibrational and electronic absorption characteristics of the monohydrate organic

salt of 2-Amino-5-bromo-6-methyl-4-pyrimidinol and 2,3-pyrazinedicarboxylic acid: A

combined experimental and computational study


3. Nafees Uddin, Pankaj Verma, Mohammad Jane Alam, Shabbir Ahmad, Bobby Antony

Electron impact total ionization cross section for C 4 and C 5 isomeric alcohols

International Journal of Mass Spectrometry 431 (2018) 37-42.

4. Ziya Afroz, Mohd. Faizan, Mohammad Jane Alam, V. H. N. Rodrigues, Shabbir Ahmad,

Afaq Ahmad

Synthesis, Structural, Hirshfeld Surface, Spectroscopic Studies and Quantum Chemical

Calculation of the Proton Transfer Complex between 2-amino-4-hydroxy-6-

methylpyrimidine and Salicylic acid


5. Rezq Naji Aljawfi, Mohammad Jane Alam, F. Rahman, Shabbir Ahmad, Aga

Shahee, Shalendra Kumar

Impact of annealing on the structural and optical properties of ZnO nanoparticles and

tracing the formation of clusters via DFT calculation

Arabian Journal of Chemistry (2018), In press

6. M. Alam, Mohammad Jane Alam, Shaista Azaz, Mehtab Parveen, Soonheum Park,

Shabbir Ahmad

DFT/TD-DFT calculations, spectroscopic characterizations (FTIR, NMR, UVVis),

molecular docking and enzyme inhibition study of 7-Benzoyloxycoumarin,

Computational Biology and Chemistry 73 (2018) 65-78

7. P. Verma, Mohammad Jane Alam, Shabbir Ahmad, B. Antony

Electron-induced scattering dynamics of Boron, Aluminium and Gallium trihalides in the

intermediate energy domain,

Molecular Physics 116 (2018) 1208-1217

8. Shaukat Shujah, Saqib Ali, Nasir Khalid, Mohammad Jane Alam, Shabbir Ahmad, Auke

Meetsma,

Synthesis, spectroscopic characterization, X-ray structure, DFT calculations and

antimicrobial studies of diorganotin(IV) complexes of monotopic oxygen nitrogen donor

Schiff base,

Chemical Papers 72 (2018) 903-919

9. Md. S. H. Faizi, M. J. Alam, A. Haque, Shabbir Ahmad, M. Shahid, M. Ahmad,

Experimental and theoretical characterization of organic salt: 2-((4- bromophenyl)amino)

pyrido[1,2-a] quinoxalin-11-ium bromide monohydrate synthesized via oxidative

cyclization,

Journal of Molecular Structure 1156 (2018) 457-464

10. M. Faizan, M. J. Alam, Z. Afroz, V. H. N. Rodrigues, Shabbir Ahmad,

Growth, structure, Hirshfeld surface and spectroscopic properties of 2-amino-4-hydroxy-6-

methylpyrimidinium-2,3-pyrazinedicorboxylate single crystal,

Journal of Molecular Structure, 1155 (2018) 695-710.

11. F. Ahmad, M. J. Alam, M. Alam, S. Azaz, M. Parveen, S. Park, Shabbir Ahmad,

Synthesis, spectroscopic, computational (DFT/B3LYP), AChE inhibition and antioxidant

studies of imidazole derivative,


12. M. Faizan, M. J. Alam, Z. Afroz, S. A. Bhat, Shabbir Ahmad, Anharmonic vibrational

spectra and mode-mode couplings analysis of 2-aminopyridine,

Spectrochimica Acta A 188 (2018) 26-31.

13. SA Bhat, M Faizan, BA Ahanger, Shabbir Ahmad,

Anharmonic vibrational spectral analysis of L-(-)-xylose molecule

Journal of Theoretical and Computational Chemistry 16 (2017) 1750059

14. M. Faizan, S. A. Bhat, M. J. Alam, Z. Afroz, Shabbir Ahmad, Anharmonic vibrational

and electronic spectral study of 2-amino-4-hydroxy-6-methylpyrimidine: A combined

experimental (FTIR, FT-Raman, UV-Vis) and theoretical (DFT, MP2) approach,


15. SA Bhat, AA Dar, Shabbir Ahmad, AT Khan,

Structural, vibrational and NMR spectroscopic investigations of newly synthesized 3-

((ethylthio)(4-nitrophenyl) methyl)-1H-indole

Journal of Molecular Structure, 1145 (2017) 94-101

16. M. Faizan, M. J. Alam, Shabbir Ahmad, Study of molecular structure, anharmonic

vibrational dynamic and electronic properties of sulindac using spectroscopic techniques

integrated with quantum chemical calculations,


17. A. Ali, M. Asif, P. Alam, M. J. Alam, M. A. Sherwani, R. H. Khan, Shabbir Ahmad,

Shamsuzzaman, DFT/B3LYP calculations, in vitro cytotoxicity and antioxidant activities

of steroidal pyrimidines and their interaction with HSA using molecular docking and

multispectroscopic techniques,

Bioorganic Chemistry 73(2017)83-99.

18. S. Masroor, M. Mobin, M. J. Alam, Shabbir Ahmad, The Novel Iminium surfactant p-

benzylidene benzyldodecyl iminium chloride as corrosion inhibitor for plain carbon steel

in 1M HCl: Electrochemical and DFT evaluation,

RSC Adv. 7 (2017) 23182-23196.

19. S. A. A. Nami, N. Sarikavakli, M. J. Alam, M. Alam, S. Park, Shabbir Ahmad,

Detailed molecular structural and spectral studies of bimetallic salt, [Ni(L)][CoCl4] where

L = 3,7-bis(2-aminoethyl)-1,3,5,7-tetraazabicyclo(3.3.1) nonane,


20. D. Mahato, R. Naghma, M. J. Alam, Shabbir Ahmad, B. Antony, “Electron impact

ionization cross section for Organoplatin compounds”, Molecular Physics 114 (2016)

3104-3111.

21. S. A. Bhat, Shabbir Ahmad, Quantum chemical and spectroscopic investigations of 4-

hydroxy-7-methyl-1,8-napthridine-3-carboxylic acid, Journal of Theoretical and

Computational Chemistry 15 (2016) 1650042.

22. Mohd. Faizan, Shabbir Ahmad, “Structure and luminescence Properties of Y2O3:Eu3+

nanophosphors”, Journal of Atomic, Molecular, Condensate and Nano 3 (2016)55-60

23. S. A. Bhat, M. Faizan, M. J. Alam, Shabbir Ahmad, “Vibrational and electronic spectral

analysis of 2,3-pyrazinedicarboxylic acid: A combined experimental and theoretical

study”, Spectroscopy Letter 49 (2016) 449-457

24. F. Ahmad, M. Parveen, M. Alam, S. Azaz, A.M. Malla, M. J. Alam, Dong-Ung Lee,

Shabbir Ahmad, “Synthesis, X-ray Crystallography, Spectroscopic (FT-IR, 1H & 13C

NMR and UV), computational (DFT/B3LYP) and enzymes inhibitory studies of 7-

Hydroximinocholest-5-en-3-ol acetate”, Journal of Molecular Structure 1116 (2016) 317-

332

25. M. Alam, M. J. Alam, S. A. A. Nami, Dong–Ung Lee, M. Azam, Shabbir Ahmad,

“Computational and anti-tumor studies of 7a-Aza-B-homostigmast-5-eno [7a, 7-d]

tetrazole-3β-yl chloride” Journal of Molecular Structure 1108 (2016) 411-426

26. M. J. Alam, S. A. Bhat, Shabbir Ahmad, “Molecular structure and vibrational analysis of

5-nitro-6-methyluracil molecule based on monomer, dimer and trimer calculations”, Indian

Journal of Physics 90 (2016) 503-518

27. S.A. Bhat, Shabbir Ahmad “FTIR, FT-Raman and UV-Vis spectral studies of D-tyrosine

molecule” Journal of Molecular Structure 1105 (2016) 169-177

28. M. J. Alam, S. Rathor, R. Rastogi , Shabbir Ahmad, M. A. Palafox, V. K. Rastogi, “FT-

IR and FT-Raman spectra and other molecular properties of biomolecule 5-Azauracil:

Anharmonic DFT Study”, Asian Journal of Physics 24 (2015) 751-769

29. S.A. Bhat, Shabbir Ahmad, “Quantum chemical calculations and analysis of FTIR, FT–

Raman and UV–Vis spectra of temozolomide molecule” Journal of Molecular Structure

1099 (2015) 453-462.

30. M. Alam, M.J. Alam, S. A.A. Nami, M.S. Khan, Shabbir Ahmad, Dong u Lee, “DFT,

Hirshfeld surfaces, spectral and in vivo cytotoxic studies of 7a-Aza-B-homostigmast-5-eno

[7a,7-d] tetrazole” Journal of Molecular Structure 1099 (2015) 588-600.

31. H. Khanam, A. Mashrai, N. Siddiqui, M. Ahmad, M. J. Alam, Shabbir Ahmad,

Shamsuzzaman, “Structural elucidation, density functional calculations and contribution of

intermolecular interactions in cholest-4-en-3-one crystals: Insights from X-ray and

Hirshfeld surface analysis” Journal of Molecular Structure 1084 (2015) 274-283.

32. M. J. Alam, Shabbir Ahmad, “FTIR, FT−Raman, UV−Visible spectra and quantum

chemicalcalculations of allantoin molecule and its hydrogen bonded dimers”, Spectrochim.

Acta A 136 (2015) 961-978.

33. M. Alcolea Palafox, D. Bhat, Y. Goyal, Shabbir Ahmad, I. Hubert Joe, V. K.Rastogi,

“FT-IR and FT-Raman spectra, MEP and HOMO-LUMO of 2,5- Dichlorobenzonitrile:

DFT Study” Spectrochim. Acta A 136 (2015) 464-472.

34. K. Haris, Param Jeet Singh, Aparna Shastri, Sunanda K., Babita K., S.V.N. Bhaskara Rao,

Shabbir Ahmad and A. Tauheed, “Photostimulated phosphor based image plate detection

system for HRVUV beamline at Indus-1 synchrotron radiation source”, Nuclear

Instruments and Methods in Physics Research A 767 (2014)199-205.

35. Alamgir, Wasi Khan, Shabbir Ahmad, M. M. Hassan, A. H. Naqvi, “Structural phase

analysis, band gap tuning and fluorescence properties of Co doped TiO2 nanoparticles”,

Optical Materials 38 (2014) 278-285.

36. Alamgir, Wasi Khan, Shabbir Ahmad, A. H. Naqvi, “Formation of self-assembled

spherical-flower like nanostructures of cobalt doped anatase TiO2 and its optical band-

gap” Materials Letters 133 (2014) 28-31.

37. Mohammad Jane Alam and Shabbir Ahmad, “Quantum chemical and spectroscopic

investigations of 3-methyladenine”, Spectrochimica Acta Part A 128 (2014) 653-664.

38. Mohammad Jane Alam and Shabbir Ahmad, “Molecular structure, anharmonic

vibrational analysis and electronic spectra of o-, m-, p-iodonitrobenzene using DFT

calculations”, Journal of Molecular Structure 1059 (2014) 239–254.

39. Mohammad Jane Alam and Shabbir Ahmad, “Anharmonic vibrational studies of L-

aspartic acid using HF and DFT calculations”, Spectrochimica Acta Part A 96 (2012) 992.

40. Tabish Rasheed and Shabbir Ahmad, “Computational studies of vibrational spectra and

molecular properties of 6-methyluracil using HF, DFT and MP2 methods”, Indian J. Phys.

85 (2011) 239.

41. Tabish Rasheed and Shabbir Ahmad, “Anharmonic vibrational spectroscopy and

investigation of intramolecular mode couplings in adenine”, Vibrational Spectroscopy 56

(2011) 51.

42. Tabish Rasheed and Shabbir Ahmad, “Approximate solution of the mode– mode

coupling integral: Application to cytosine and its deuterated derivative”, Spectrochimica

Acta Part A 77(2010)446.

43. Tabish Rasheed, Shabbir Ahmad, S.M. Afzal and K. Rahimullah, “Anharmonic

vibrational analysis of uracil by ab initio Hartree–Fock and density functional theory

calculations”, Journal of Molecular Structure: THEOCHEM 895 (2009) 18.

44. T. Nandi, A. A. Wani, N. Ahmad, P. Marketos, R.P. Singh, R. Ram and Shabbir Ahmad,

“Lifetime for the 2 3P°2 in 58Ni26+ using beam-two-foil experiments”, J. Phys. B: At.

Mol. Opt. Phys. 37 (2004) 703.

45. Shabbir Ahmad and P.K. Verma, “Laser Raman, infrared and far infrared spectra of

some biomolecules with special reference to hydrogen bonding”, Chem. Environ. Res. 5

(1996) 241.

46. Shabbir Ahmad, Samuel Mathew and P.K. Verma, “FT-infrared spectra and laserRaman

spectra of p- nitroacetanilide”, Spectrochimica Acta Part A 50 (1994) 369.

47. Shabbir Ahmad, Samuel Mathew and P.K. Verma, “Laser Raman and FT-infrared spectra

o-, m- and p- iodonitrobenzene”, Indian J. Pure & Appl. Phys. 31 (1993) 395.

48. Shabbir Ahmad, Samuel Mathew and P.K. Verma, “Polarized Raman and infrared spectra

of 2,4,6-trinitrophenol”, Indian J. Pure & Appl., Phys. 31 (1993) 262.

49. Shabbir Ahmad, Samuel Mathew, Naushad Ali and P.K. Verma, “Laser Raman and

infrared spectra of 5-flouro, 5-chloro. 5-bromocytosine”, Indian J. Pure & Appl. Phys. 30

(1992) 460.

50. Shabbir Ahmad, Samuel Mathew and P.K. Verma, “Laser Raman and FT-infrared spectra

of 3,5-dinitrobenzoic acid”, Indian J. Pure & Appl. Phys. 30 (1992) 764.

51. Samuel Mathew, Shabbir Ahmad and P.K. Verma, “Laser Raman and FT-infrared and

spectra of sulphanilic acid”, Indian J. Phys. 66B (1992) 207.

52. Shabbir Ahmad and P.K. Verma, “Laser Raman and infrared and far infrared spectra of

3,4,5-trimethoxybenzaldehyde”, Indian J. Phys. 64B (1990) 50.

53. Shabbir Ahmad and P.K. Verma, “Infrared and far infrared spectra of isomeric

iodonitrobenzene”, Indian J. Phys. 62B (1988) 509.

Publications in Proceedings:

54. Nature and potency interactions of the hydrogen bond through the NBO analysis for

charge transfer complex between 2-amino-4-hydroxy-6-methylpyrimidine and 2,3-

pyrazinedicarboxylic acid

Mohd Faizan, Ziya Afroz, Mohammad Jane Alam, Sheeraz Ahmad Bhat, Shabbir

Ahmad,

and Afaq Ahmad

AIP Conference Proceedings 1953 (2018) 140070-1–140070-4.

55. Anharmonic vibrational spectroscopy, NBO charges and global chemical reactivity

studies on the charge transfer PDCA-.AHMP+ single crystal using DFT calculations

Mohd Faizan, Ziya Afroz, Sheeraz Ahmad Bhat, Mohamad Jane Alam, Shabbir

Ahmad, and Afaq Ahmad

AIP Conference Proceedings 1942 (2018) 100002.

56. Theoretical studies of charge transfer and proton transfer complex formation between

3,5-dinitrobenzic acid and 1,2-dimethylimidazole

Ziya Afroz, Mohd. Faizan, Mohammad Jane Alam, Shabbir Ahmad, and Afaq Ahmad

AIP Conference Proceedings 1953 (2018) 140081-1–140081-4.

57. Theoretical insights of proton transfer and hydrogen bonded charge transfer complex of

1,2-dimethylimidazolium-3,5-dinitrobenzoate crystal

Ziya Afroz, Mohd. Faizan, Mohammad Jane Alam, Shabbir Ahmad, and Afaq Ahmad

AIP Conference Proceedings 1942 (2018) 100008.

58. Synthesis and characterization of Y2O3 nano-material: An experimental and theoretical

study

Sheeraz Ahmad, Mohd Faizan, Shabbir Ahmad, and Mohd Ikram

AIP Conference Proceedings 1942, 050013 (2018).

59. “DFT and TD-DFT computation of charge transfer complex between o-

phenylenediamine and 3,5-dinitrosalicylic acid”, Z. Afroz, Mohammad Jane Alam,

Zulkarnain, M. Faizan, A. Ahmad, Shabbir Ahmad, AIP Conference Proceedings

1731(2016) 090038 http://dx.doi.org/10.1063/1.4948002

60. “Influence of Rare Earth Ions on Microstructural and Optical Properties of ZnO

Nanostructures” Sk Riyajuddin, Swaleha Naseem, Wasi Khan, Mohd Faizan, Shabbir

Ahmad and A.H. Naqvi AIP Conference Proceedings 1731,050040 (2016).

61. “Structural and Spectroscopic Properties of Li+ Co-doped MgAl2O4: Eu

3+

Nanophosphors” Mohd Faizan and Shabbir Ahmad, AIP Conference Proceedings

1731, 050100 (2016).

62. “Thermal analysis and temperature dependent dielectric response of Co doped anatase

nanoparticle” Alamgir, Wasi Khan, Shabbir Ahmad, M. M. Hassan, A. H. Naqvi, AIP

Conference Proceedings 1661, 080001(2015)

63. “DFT calculations on monomer, dimer and tetramer form of 5-nitro-6-methyluracil

molecule: Molecular structure and vibrational spectra”, Mohammad Jane Alam, S.A.

Bhat, Shabbir Ahmad, Proceedings of 9th Workshop of Computational Chemistry and

Molecular Spectroscopy, Chile-2014, October 13-16, 2014 http://www.wccms.cl/

64. “Spectral and quantum chemical investigations of trans-4-hydroxy-l-proline”,

Mohammad Jane Alam, Sheeraz Ahmad Bhat and Shabbir Ahmad, Proc. DAE-BRNS

Symposium on current trends in theoretical chemistry (CTTC-2013) pp. 91-92, 2013.

http://dx.doi.org/10.1063/1.4948002

http://www.wccms.cl/

65. “Spectral analysis of 5-nitrouracil using anharmonic DFT and TD-DFT calculations”,

Shabbir Ahmad, S.A. Bhat, Mohammad Jane Alam, Proceedings of the 4th

International Conference on Perspectives in Vibrational Spectroscopy (ICOPVS-2013),

August 6-9, 2013, pp. 62-63, ISBN: 978-93-82880-54-7.

66. “Anharmonic vibrational and electronic spectra of 6-aminouracil”, S. A. Bhat,

Mohammad Jane Alam, Shabbir Ahmad, Proceedings of the 4th International

Conference on Perspectives in Vibrational Spectroscopy (ICOPVS-2013), August 6-9,

2013, pp. 166-167, ISBN: 978-93-82880-54-7

67. “Anharmonic vibrational studies of 6-aza-thymine using FTIR, Laser Raman and DFT

calculations”, Mohammad Jane Alam, S. A. Bhat, Shabbir Ahmad, Proceedings of the

4th International Conference on Perspectives in Vibrational Spectroscopy (ICOPVS-

2013), August 6-9, 2013, pp. 272-273, ISBN: 978-93-82880-54-7.

68. “Vibrational spectroscopy of 2, 4, 6-tri-fluoroaniline molecule by HF and DFT

simulations using anharmonic second order perturbative approach”, Mohammad Jane

Alam, Shabbir Ahmad, V.K. Rastogi, Proceedings of the National Conference on

Exploring the Frontiers of Vibrational Spectroscopy (EXFOVIS 2011), September 1-2,

2011, pp. 198-204, ISBN-13:978-81-9085 38-8-0.

69. “Computational and Vibrational Spectroscopy Study of 5-Nitro-6- Methyluracil by

Density Functional Theory”, Shabbir Ahmad, Tabish Rasheed, S.M. Afzal and

K. Rahimullah, AIP Conference Proceedings 1075, 74 (2008).

Technical Reports/Other Publications:

1. Shabbir Ahmad and Rahimullah Khan, “Optical frequency comb techniques and laser

based precision spectroscopy”, Physics Bulletin, Aligarh Physical Society, Department

of Physics, A.M.U., Aligarh, Feb. 2006.

2. Nissar Ahmad and Shabbir Ahmad, “Beam foil spectroscopy”, Physics Bulletin,

Aligarh Physical Society, Department of Physics, A.M.U., Aligarh, Feb. 2005

3. Shabbir Ahmad and Rahimullah Khan, “Laser cooling of atoms”, Physics Bulletin,

Aligarh Physical Society, Department of Physics, A.M.U., Aligarh, Feb. 2005.

4. M.G. Vijaya, Aijaz A. Wani, Nissar Ahmad, Rewa Ram, Sanker De, C. P. Safavan,

Shabbir Ahmad, N. G. Nayak and Tapan Nandi, “Lifetime of 1s2p2s 4P5/2 level in Li-

like 48Ti using beam two-foil experiment”, Annual Report, Nuclear Science Centre,

New Delhi, 2002-2003

Papers Presented in Conferences:

1. Structure, vibrational and electronic spectral studies of the SA

.AHMP

+ crystal:

A combined PXRD, FT-Raman, UV-Vis and DFT calculations

Mohd Faizan, Ziya Afroz, Shabbir Ahmad

63rd

DAE Solid State Physics Symposium held at Guru Jambheshwar

University of Science and Technology (GJUS&T), Hisar,

Haryana during December 18-22, 2018.

2. Z. Afroz, M. Faizan, M. J. Alam, Shabbir Ahmad, A. Ahmad, Theoretical

insights of proton transfer and hydrogen bonded charge transfer complex of1,2-

dimethylimidazolium-3,5-dinitrobenzoate crystal, pp. 227, DAE Solid State

Physics Symposium, BARC, Mumbai, December 26-30, 2017.

3. M. Faizan, Z. Afroz, S. A. Bhat, M. J. Alam, Shabbir Ahmad, A. Ahmad,

Anharmonic vibrational spectroscopy, NBO charges and global chemical

reactivity indices on the charge transfer PDCA-.AHMP+ single crystal using

DFT calculations, pp. 224, DAE Solid State Physics Symposium, BARC,

Mumbai, December 26-30, 2017.

4. S. A. Bhat, M. Faizan, Shabbir Ahmad, M. Ikram, Synthesis and characterization

of Y2O3 nano-material: An experimental and theoretical study, pp. 71, DAE

Solid State Physics Symposium, BARC, Mumbai, December 26-30, 2017.

5. Z. Afroz, Mohammad Jane Alam, M. Faizan, Shabbir Ahmad, A. Ahmad,

Theoretical insights into proton transfer complex between 2,4,6-

trimethylbenzoic acid and 3-amino-1,2,4-triazole, PS-2-1, pp99, NCAMP XXI,

PRL, Ahmedabad, 3-6 January 2017.

6. M. Faizan, Mohammad Jane Alam, Z. Afroz, S. A. Bhat, Shabbir Ahmad,

Molecular Structure and Vibrational Spectroscopic Studies of 5-Methylcytosine,

PS-2-9 pp 107, NCAMP XXI, PRL, Ahmedabad, 3-6 January 2017.

7. Mohd Faizan, Mohammad Jane Alam, Ziya Afroz, Sheeraz Ahmad Bhat,

Shabbir Ahmad, Anharmonic vibrational spectra and intermolecular mode

couplings analysis of 2-aminopyridine, 6th

International Conference on

Perspectives in Vibrational spectroscopy, University of Lucknow, India, 5-8

November, 2016.

8. Ziya Afroz, Mohammad Jane Alam, Mohd Faizan, Sheeraz Ahmad Bhat,

Shabbir Ahmad,Vibrational studies of 3,4-dimethoxyaniline molecule beyond

the harmonic approximation 6th

International Conference on Perspectives in

Vibrational spectroscopy, University of Lucknow, India, 5-8 November, 2016.

9. Ziya Afroz, Mohammad Jane Alam, Mohd. Faizan, AfaqAhmad and Shabbir Ahmad

“Comparative theoretical and experimental studies of electronic spectra of ε-

aminocaproic acid” Topical Conference on Charged Particle Collisions and Electronic

processes in Atoms, Molecules and Materials q-PaCE 2016, ISM Dhanbad.

10. Ziya Afroz, Mohammad Jane Alam, Mohd. Faizan, Afaq Ahmad, Shabbir Ahmad

“Effect of halogen substituents on various molecular properties of 5CB liquid crystal:

DFT/TD-DFT Computation” CRSI NATIONAL SYMPOSIUM ON CHEMISTRY,

2016, Punjab University, Chandigarh.

11. Mohd. Faizan, M. J. Alam, S. A. Bhat, Shabbir Ahmad “FTIR, Laser Raman and DFT

studies of 3, 5-dinitrobenzoic acid” International Conference Plasma science,

Technology and Application (ICPSTA-2016) Amity University, Lucknow.

12. Mohd Faizan and Shabbir Ahmad “Structural and Spectroscopic Properties of Li+ Co-

doped MgAl2O4: Eu3+ Nanophosphors” 60th DAE Solid State Physics Symposium at

AMITY University during Dec. 21-25, 2015.

13. M. Faizan, M. J. Alam, S. A. Bhat, Shabbir Ahmad “FTIR, Laser Raman spectroscopy

and structural, HOMO- LUMO, MEP and NLO properties of Pyrazinecarboxylic acid”

International Conference on light quanta: modern perspective & application (ICLQMPA

15) to be held from 14 to 16 Dec.2015 at Physics Department Allahabad University,

Allahabad.

14. Sk Riyajuddin, Swaleha Naseem, Wasi Khan, Mohd Faizan, Shabbir Ahmad and A.H.

Naqvi “Influence of Rare Earth Ions on Microstructural and Optical Properties of ZnO

Nanostructures” 60th DAE Solid State Physics Symposium at AMITY University during

Dec. 21-25, 2015.

15. Ziya Afroz , Mohammad Jane Alam, Zulkarnain, Mohd. Faizan, Afaq Ahmad and

Shabbir Ahmad “DFT and TD-DFT Computation of Charge Transfer Complex

between o-phenylenediamine and 3,5-dinitrosalicylic acid”, 60th DAE Solid State

Physics Symposium at AMITY University during Dec. 21-25, 2015.

16. Mohd Faizan and Shabbir Ahmad “Structural and Spectroscopic Properties of Na+

Co-doped MgAl2O4: Eu3+ Nanophosphors” 3rd International Conference on

Nanostructured Materials and Nanocomposites (ICNM-2015) to be held from 12th to

13th Dec. 2015, at Hindustan College of Science and Technology, Farah (Mathura) U.P.

India.

17. Mohd Faizan and Shabbir Ahmad “Structure and Luminescence Properties of

Y2O3:Eu3+ Nanophosphors” 3 rd International Conference on Current Developments in

Atomic, Molecular, Optical and Nano Physics (CDAMOP 2015), organized at

department of Physics, University of Delhi, Delhi, India, March 11-14, 2015.

18. Mohammad Jane Alam, Sheeraz Ahmad Bhat, Shabbir Ahmad and V. K.

Rastogi,"Anharmonic vibrational analysis of 5-nitro-6-methylurail", 5th International

Conference on Perspectives in Vibrational Spectroscopy (ICOPVS-2014), July 8-12,

2014, at Mascot Hotel, Trivandrum, Kerala, India

19. Sheeraz Ahmad Bhat, Mohammad Jane Alam and Shabbir Ahmad, “Anharmonic

vibrational studies of 6-aza-thymine using FTIR, Laser Raman and DFT calculations”.

DAE- BRNS symposium on Current Trends in Theoretical Chemistry (CTTC-2013), at

BARC Mumbai, September 26-28, 2013.

20. Mohammad Jane Alam, Sheeraz Ahmad and Shabbir Ahmad, “Spectral and quantum

chemical investigations of trans-4-hydroxy-L-proline”. DAE-BRNS symposium on

Current Trends in Theoretical Chemistry (CTTC-2013), at BARC Mumbai, September

26-28, 2013.

21. Sheeraz Ahmad Bhat, Mohammad Jane Alam and Shabbir Ahmad “Anhrmonic ”. 4th

Inter. Conf. on Perspectives in Vibrational Spectroscopy (ICOPVS-2013), at Mavelikara,

Kerala, August 6-9, 2013.

22. Shabbir Ahmad, Mohammad Jane Alam and Sheeraz Ahmad Bhat, “FTIR, Raman

spectra and anharmonic DFT calculations of 6-amino-1,3-dimethyluracil", 3rd DAE-

BRNS symposium on Atomic, Molecular and Optical Physics-2012, December 14-17,

2012, at IISER Kolkata

23. Mohammad Jane Alam, Sheeraz Ahmad Bhat and Shabbir Ahmad, “Vibrational studies

of 5-nitroorotic acid potassium salt monohydrate using FTIR, Raman and anharmonic

DFT calculations”, 3rd DAE-BRNS symposium on Atomic, Molecular and Optical

Physics-2012, December 14-17, 2012, at IISER Kolkata.

24. Sheeraz Ahmad Bhat, Mohammad Jane Alam and Shabbir Ahmad,"Molecular

Structure and Anharmonic Vibrational Spectra of L-(-)-xylose using DFT Calculations",

3rd DAE- BRNS symposium on Atomic, Molecular and Optical Physics-2012,

December 14-17, 2012, at IISER Kolkata.

25. Mohammad Jane Alam and Shabbir Ahmad, “FTIR, Laser Raman spectroscopy and

anharmonic DFT simulations of 6-aminouracil”, ISAMP National Topical Conference

TC2012, organized at Department of Physics, University of Hyderabad, Hyderabad,

India, January 9-12, 2012.

26. Shabbir Ahmad and Mohammad Jane Alam, "Vibrational spectroscopy studies of 5-

nitrouracil using FTIR, Laser Raman and anharmonic quantum chemical calculations",

ISAMP National Topical Conference TC 2012, organized at Department of Physics,

University of Hyderabad, Hyderabad, India, January 9-12, 2012.

27. Mohammad Jane Alam, Shabbir Ahmad and V. K. Rastogi, "Vibrational spectroscopy

of 2,4, 6-tri-fluoroaniline molecule by HF and DFT simulations using anharmonic

second order perturbative approach", National Conference on Exploring the Frontiers of

Vibrational Spectroscopy (EXFOVIS 2011), organized at department of Physics and

Research Center, Women’s Christian College, Nagercoil, September 1-2, 2011.

28. Sheeraz Ahmad Bhat, Shabbir Ahmad, Mohammad Jane Alam and S. M. Afzal, "Ab-

initio calculations of structures and FTIR spectrum of B2O3 glass", 3rd International

Conference on Current Developments in Atomic, Molecular, Optical and Nano Physics

(CDAMOP 2011), organized at department of Physics, University of Delhi, Delhi, India,

December 14-16,2011.

29. Shabbir Ahmad and Mohammad Jane Alam, "Vibrational analysis of active psycho

stimulant Caffeine using quantum chemical simulations", 3rd International Conference

on Current Developments in Atomic, Molecular, Optical and Nano Physics (CDAMOP

2011), organized at department of Physics, University of Delhi, Delhi, India, December

14-16, 2011.

30. Mohammad Jane Alam and Shabbir Ahmad, "Molecular structure and vibrational

studies of Allantoin using ab initio (HF) and density functional theory (B3LYP) method

in the anharmonic approximation", 3rd International Conference on Current

Developments in Atomic, Molecular, Optical and Nano Physics (CDAMOP 2011),

organized at department of Physics, University of Delhi, Delhi, India, December 14-16,

2011.

31. Shabbir Ahmad and Mohammad Jane Alam, “Vibrational analysis of D-tyrosine based

on DFT anharmonic potentials”, XVIII DAE/BRNS Symposium on Atomic, Molecular

and Optical Physics in association with India Society for Atomic and Molecular Physics,

organized at Karnatak University, Dharwad, India, February 22-25, 2011.

32. Mohammad Jane Alam and Shabbir Ahmad, “FTIR, Raman spectra and theoretical

studies of L-aspartic acid using anharmonic DFT”, XVIII DAE/BRNS Symposium on

Atomic, Molecular and Optical Physics in association with India Society for Atomic and

Molecular Physics, organized at Karnatak University, Dharwad, India, February 22-25,

2011.

33. Mohammad Jane Alam and Shabbir Ahmad, “Analysis of vibrational spectra of L-

asparagine using FTIR, Raman and anharmonic calculations”, Meghnad Saha Memorial

International Symposium-cum-workshop on Laser Induced Breakdown Spectroscopy,

organized by department of Physics, Allahabad University, Allahabad, India, December

21-23, 2010.

34. Shabbir Ahmad and Mohammad Jane Alam, “FTIR, Raman spectra and anharmonic

DFT vibrational studies of L-glutamic acid”, Meghnad Saha Memorial International

Symposium- cum-workshop on Laser Induced Breakdown Spectroscopy, organized by

department of Physics, Allahabad University, Allahabad, India, December 21-23, 2010.

35. Mohammad Jane Alam, Shabbir Ahmad, Tabish Rasheed, S. M. Afzal and K

Rahimullah, “Anharmonic vibrational spectra of L-alanine”, International Conference on

Recent Frontiers in Applied Spectroscopy (ICORFAS-2010), organized by department

of Physics, Annamalai University, Chidambaram, Tamilnadu, India, September 22-24,

2010.

36. Tabish Rasheed and Shabbir Ahmad, "Anharmonic vibrational spectroscopy and

investigation of intramolecular mode couplings in adenine", ICOPVS-2010

(international conference), Banaras Hindu University, Varanasi, February 21-24, 2010.

37. Bashir Ahmed, Shabbir Ahmad, Tabish Rasheed, S.M. Afzal and K. Rahimullah,

“Spectroscopic and theoretical study of the amino acid L–glutamic acid”, MMSETLSA-

2009 conference, Allahabad, March 23-25, 2009.

38. Bashir Ahmed, Shabbir Ahmad, Tabish Rasheed and K. Rahimullah, “FTIR spectrum

and ab initio Hartee-Fock computations of L-asparagine”, DAE-BRNS Symposium on

atomic, molecular and optical physics (NCAMP-XVII, 2008), New Delhi, February 10-

13, 2008.

39. Tabish Rasheed, Shabbir Ahmad and S.M. Afzal, “Vibrational spectrum and molecular

structure of 6-methylisocytosine by density functional theory calculations”, DAE-BRNS

Symposium on atomic, molecular and optical physics (NCAMP-XVII, 2008), New

Delhi, February 10-13, 2008.

40. Shabbir Ahmad, Tabish Rasheed, S. M. Afzal and K. Rahimullah, "Computational and

vibrational spectroscopy study of 5-nitro-6-methyluracil by density functional theory",

2nd International conference on perspectives in vibrational spectroscopy (ICOPVS-

2008), Trivandrum, Kerala, India, February 24-28, 2008.

41. S. Khatoon, Shabbir Ahmad, S. M. Afzal and K. Rahimullah, Analysis of twelfth

spectrum of molybdenum: Mo, XII, XVI- National conference on Atomic and Molecular

Physics Tata Institute of Fundamental Research, Mumbai ,Jan, 8th –11th, 2007.

42. S. M. Afzal , S. Khatoon, Shabbir Ahmad, and K. Rahimullah, Extended and revised

analysis of yttrium VIII, XII, XVI- National conference on Atomic and Molecular

Physics Tata Institute of Fundamental Research, Mumbai ,Jan, 8th –11th, 2007.

43. Shabbir Ahmad, S. Khatoon, S. M. Afzal and K. Rahimullah, Revised and extended

analysis of eleventh spectrum of molybdenum: Mo XI XII, XVI- National conference on

Atomic and Molecular Physics Tata Institute of Fundamental Research, Mumbai, Jan,

8th –11th, 2007.

44. F. Maqsood,W. Ahmad,O. Farooq and Shabbir Ahmad, “ LSFR based complex code

generator for stream cipher”,Advance Technologies-Global Scenario”ADTECH-

GLOB”, Mathura, Feb. 2007.

45. A. A. Wani, T. Nandi, Nissar Ahmad, Shabbir Ahmad and Tauheed A.,

“Lifetime measurement of 1s2p 3P2 level in He-like nickel using two-foil target”,

International Conference on Current Devlopments of Atomic, Molecular and Chemical

Physics, Delhi University, New Delhi, March 20-23, 2002.

46. Shabbir Ahmad and P.K. Verma, “Laser Raman, infrared and far spectra of some

biomolecules with special reference to hydrogen bonding”, International Conference on

molecular Association, Aligarh Muslim University, Aligarh, 1996.

47. Samuel Mathew, Shabbir Ahmad and P.K. Verma, “FTIR and Laser Raman spectra of

o- nitroorotic acid”, National Conference on Atomic Molecular Physics, Chaudhary

Charan Singh University Meerut, March 7-11, 1995.

48. A.Tauheed, Mehdi Hajivaliei, K. Rahimullah, M.S.Z.Chaghtai and Shabbir Ahmad,

“Configuration interaction study of the singly ionized iodine atoms: I, II”, National

Conference on Atomic Molecular Physics, Chaudhary Charan Singh University Meerut,

March 7-11, 1995

49. Samuel Mathew, Shabbir Ahmad and P. K. Verma, "Laser Raman and Infrared spectra

of p-nitroacetanilide", National conference on current trends in atomic and molecular

physics, BARC, Bombay, December 21-23, 1993.

50. A. Tauheed, M.S.Z. Chaghtai, K. Rahimullah and Shabbir Ahmad, “The spectrum of

singly ionized tellurium: Te II”, National Conferenceon Current Trend in Atomic

Molecular Physics, BARC Bombay, December 14-18, 1992.

51. Samuel Mathew, Shabbir Ahmad and P.K. Verma, “Laser Raman and FT-infrared

spectra of 3,4,5-trimethoxybenzoic acid”, National Conference on Current Trend

in Atomic Molecular Physics, BARC Bombay, December 14-18, 1992.

52. Samuel Mathew, Shabbir Ahmad and P.K. Verma, "Laser Raman and FT-infrared

spectra of 2, 4, 6-tribromophenol, National Conference on Current Trend in Atomic

Molecular Physics, BARC Bombay, December 14-18, 1992.

53. Shabbir Ahmad, Samuel Mathew and P.K. Verma, “Polarised Raman and infrared and

spectra of 2,4,6-trinitrophenol”, National Seminar on Vibrational Spectroscopy, M. M.

College (Meerut University) Modinagar, May 9-10, 1992.

54. Shabbir Ahmad and P.K. Verma, “Vibrational assignment of 5-nitroorotic acid,

Samuel Mathew”, National Seminar on Vibrational Spectroscopy, M. M. College

(Meerut University) Modinagar, May 9-10, 1992.

55. Samuel Mathew, Shabbir Ahmad and P.K. Verma, “Laser Raman infrared spectra of

2,4,6-trinitrophynol”, National Symposium on Molecular Spectroscopy, Department of

Physics, Banaras University, Varanasi, March 15-16, 1991.

56. FT-infrared spectrum of sulphaanilic acid in solid phase, Samuel Mathew, Shabbir

Ahmad and P.K. Verma, Conference on Laser spectro scopy and Atomic and Molecular

Physics, Department of Physics, Magadh University, Bodh-Gaya, March 29-31, 1991.

57. Laser Raman and infrared spectrum of 6-Azauracil, Samuel Mathew, Shabbir Ahmad

and P.K. Verma, Conference on Laser spectro scopy and Atomi And Molecular physics,

Department of Physics, Magadh University, Bodh-Gaya, March 29-31, 1991

58. Vibrational spectra of 2,4,6-fluoroaniline, Shabbir Ahmad and P.K. Verma, National

Symposium on Photoscience, Department of Physics, Kumaun university, Nainital, April

4-7, 1990.

59. Naushad Ali, Shabbir Ahmad and P.K. Verma, “Laser Raman and infrared spectra of

halageno-uracils”, Raman Centenary National Seminar, Allahabad University,

November 5-7, 1989.

60. Naushad Ahmad, Shabbir Ahmad and P.K. Verma, “Laser Raman and infrared spectra

of 5- chloro-, 5-fluoro- and 5-bromo-cytosine”, II IPA/DST Symp. On Laser and

Applications, Banaras Hindu University, Varanasi, December 11-15, 1989.

61. Shabbir Ahmad and P.K. Verma, “Infrared and Far Infrared spectra of

pyrazinedicarboxylic acid”, National Science Congress Association, 76th Session,

Madurai, January 7-12, 1989.

62. Naushad Ahmad, Shabbir Ahmad and P.K. Verma, “Laser Raman and infrared spectra

of 5- azacytosine and calculation of thermodymic quantities”, National Symposium on

Raman Spectroscopy, Raman School of Physics, Pondicherry University, January 4-6,

1989.

63. Shabbir Ahmad and P.K. Verma, “Low frequency Raman spectra of

pyrazinecarboxylic acid”, VII National Workshop and Coference on Atomic and

Molecular Physics, Aligarh Muslim University, Aligarh, December 12-17, 1988.

64. Shabbir Ahmad and P.K. Verma, “Infrared and far infrared spectra of 2,3-

pyrazinedicarboxylic acid”, VII National Workshop and Coference on Atomic and

Molecular Physics, Aligarh Muslim University, Aligarh, December 12- 17, 1988.

Documents

ACADEMIC QUALIFICATIONS: RESEARCH FELLOWSHIP/ … · Shabbir Ahmad and A. Tauheed, “Photostimulated phosphor based image plate detection system for HRVUV beamline at Indus-1 synchrotron