Dr.E.J. Padma Malar
Research Interest:
Computational Chemistry
Research Projects:
1) Ref. No. : SP/YS/CO9/86
Funding agency : Department of Science and Technology
Title : Young Scientist Project “Aromatic excited states in antiaromatic systems”
Duration : 1988-1990
Cost : Rs.1,46,000
2) Reference No. : SP/S1/H-47/94
Funding agency : Department of Science and Technology
Title : Theoretical Studies on the Mechanisms of Chemiluminescent reactions.
Duration : August 1995 to Aug.1999
Cost : Rs. 5,65,386/-
3) Ref. No. : F. 12-25/ 98 (SR-I) dt 10-10-98
Funding agency : University Grants Commission
Title : Quantum Chemical Investigations on Organic Donors and Acceptors forming conducting Materials. Duration : Nov.98 - Nov. 2001
Cost : Rs. 3.8 lakhs
4) Ref. No. : No.01 (2133)/07EMR-II dated 30.03.07
Funding agency : CSIR
Title : Conformational analysis and docking studies on amyloid forming polypeptides by quantum chemical Studies
Duration : June 2007 - June 2010
Cost : Rs. 5 lakhs
5) Ref. No. : Funding agency : High Performance Computing Facility (HPCF) at University Of Hyderabad
Title : Quantum chemical studies on amyloid-b polypeptide involved in Alzheimer’s disease
Duration : June 2006 onwards
Cost : Grant of Computer time and facility.
Recent Publications:
1) E. J. P. Malar
“Study of aromaticity in phosphorus analogues of the cyclopentadienyl anion”
J. Org. Chem. 1992, 57, 3694 – 3698.
2) E. J. Padma Malar
“Do penta- and Decaphospha Analogues of Lithocene Anion and Beryllocene Exist? Analysis of Stability,
Structure and Bonding by Hybrid Density Functional Study”
Inorg. Chem., 2003, 42, pp 3873-3883.
3) E. J. Padma Malar
“Can the cyclo-P5 ligand introduce basicity at the transition metal center in metallocenes? A hybrid density functional study
on the cyclo-p5 analogues of metallocenes of Fe, Ru and Os”
Eur. J. Inorg. Chem.2004, 2723-2732..
4) E. J. Padma Malar
“Density functional theory analysis of some triple-decker sandwich complexes of iron containing cyclo-P5 and cyclo-As5 ligands”
Theoret. Chem. Acc. (Special Issue: Felicitation to Prof. Karl Jug) 2005, 114, 213 – 221.
5) R. Rajkannan and E. J. Padma Malar
"Docking of B-Cell Epitome antigen to specific Hepatitis B antibody"
J. Chem. Sci. 2007, 119, 553–558.
Computational Chemistry
Research Projects:
1) Ref. No. : SP/YS/CO9/86
Funding agency : Department of Science and Technology
Title : Young Scientist Project “Aromatic excited states in antiaromatic systems”
Duration : 1988-1990
Cost : Rs.1,46,000
2) Reference No. : SP/S1/H-47/94
Funding agency : Department of Science and Technology
Title : Theoretical Studies on the Mechanisms of Chemiluminescent reactions.
Duration : August 1995 to Aug.1999
Cost : Rs. 5,65,386/-
3) Ref. No. : F. 12-25/ 98 (SR-I) dt 10-10-98
Funding agency : University Grants Commission
Title : Quantum Chemical Investigations on Organic Donors and Acceptors forming conducting Materials. Duration : Nov.98 - Nov. 2001
Cost : Rs. 3.8 lakhs
4) Ref. No. : No.01 (2133)/07EMR-II dated 30.03.07
Funding agency : CSIR
Title : Conformational analysis and docking studies on amyloid forming polypeptides by quantum chemical Studies
Duration : June 2007 - June 2010
Cost : Rs. 5 lakhs
5) Ref. No. : Funding agency : High Performance Computing Facility (HPCF) at University Of Hyderabad
Title : Quantum chemical studies on amyloid-b polypeptide involved in Alzheimer’s disease
Duration : June 2006 onwards
Cost : Grant of Computer time and facility.
Recent Publications:
1) E. J. P. Malar
“Study of aromaticity in phosphorus analogues of the cyclopentadienyl anion”
J. Org. Chem. 1992, 57, 3694 – 3698.
2) E. J. Padma Malar
“Do penta- and Decaphospha Analogues of Lithocene Anion and Beryllocene Exist? Analysis of Stability,
Structure and Bonding by Hybrid Density Functional Study”
Inorg. Chem., 2003, 42, pp 3873-3883.
3) E. J. Padma Malar
“Can the cyclo-P5 ligand introduce basicity at the transition metal center in metallocenes? A hybrid density functional study
on the cyclo-p5 analogues of metallocenes of Fe, Ru and Os”
Eur. J. Inorg. Chem.2004, 2723-2732..
4) E. J. Padma Malar
“Density functional theory analysis of some triple-decker sandwich complexes of iron containing cyclo-P5 and cyclo-As5 ligands”
Theoret. Chem. Acc. (Special Issue: Felicitation to Prof. Karl Jug) 2005, 114, 213 – 221.
5) R. Rajkannan and E. J. Padma Malar
"Docking of B-Cell Epitome antigen to specific Hepatitis B antibody"
J. Chem. Sci. 2007, 119, 553–558.
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Research Students:
Dr. N. Suresh Babu
Dr. S.Dhandayuthapani
Dr. R. Rajkannan
Ms. R. Koteeswari
Ms.D. Yogalakshmi
Ms.P. Divya
Bio-data
ejp-cv-1.doc |