Ab-initio and DFT investigations of hydrogen storage
Division:
Physical and Materials Chemistry Division
Organization:
Year:
2013
Guide:
University:
University of Pune
AccNo:
TH2008
Type:
Ph.D.
Month:
November
Pal, S.
Activation of small molecules via organometallic pincer catalysts and small rhodium clusters (pure and doped): a density functional theory approach
Division:
Physical and Materials Chemistry Division
Organization:
Year:
2015
Guide:
University:
AcSIR
AccNo:
TH2165
Type:
Ph.D.
Month:
August
Co-Guide:
Density based reactivity descriptors: relation to molecular properties and the strength of chemical interactions
Division:
Physical and Materials Chemistry Division
Organization:
Year:
2006
Guide:
University:
University of Pune
AccNo:
TH1519
Type:
Ph.D.
Month:
November
Development and application of non-iterative methods for calculation of electric response properties within density functional theory
Division:
Physical and Materials Chemistry Division
Organization:
Year:
2012
Guide:
University:
University of Pune
AccNo:
TH1905
Type:
Ph.D.
Month:
May
Electronic resonances by the method of complex scaling and complex absorbing potentials within the framework of coupled cluster theory
Division:
Physical and Materials Chemistry Division
Organization:
Year:
2005
Guide:
University:
University of Pune
AccNo:
TH1469
Type:
Ph.D.
Month:
December
Formulation and implementation of transition dipole moment and electric response properties using multi-refrence methods
Division:
Physical and Materials Chemistry Division
Organization:
Year:
2015
Guide:
University:
Savitribai Phule Pune University
AccNo:
TH2119
Type:
Ph.D.
Month:
June
Geometrical derivatives of energy surfaces and spectroscopic properties of open shell molecules and molecular excited scates : a coupled cluster investigation
Division:
Physical and Materials Chemistry Division
Organization:
Year:
2014
Guide:
University:
University of Pune
AccNo:
TH2057
Type:
Ph.D.
Month:
July
Co-Guide:
Intermediate hamiltonian fock space molecular response properties
Division:
Physical and Materials Chemistry Division
Organization:
Year:
2013
Guide:
University:
University of Pune
AccNo:
TH2005
Type:
Ph.D.
Month:
November
Investigation of stability and catalytic properties of atomic clusters within DFT framework
Division:
Physical and Materials Chemistry Division
Organization:
Year:
2017
Guide:
University:
AcSIR
AccNo:
TH2279
Type:
Ph.D.
Month:
March
Co-Guide:
Non-metallic approaches for C-H and C-Si bond activations
Division:
Organic Chemistry Division
Organization:
Year:
2013
Guide:
University:
University of Pune
AccNo:
TH1975
Type:
Ph.D.
Month:
June
On some aspects of many body effects in spectroscopic energies and molecular properties.
Division:
Physical and Materials Chemistry Division
Organization:
Year:
1995
Guide:
University:
University of Poona
AccNo:
TH1038
Type:
Ph.D.
Month:
November
Properties of molecules in ground and low-lying excited status using some starionary coupled-cluster methods
Division:
Physical and Materials Chemistry Division
Organization:
Year:
2007
Guide:
University:
University of Pune
AccNo:
TH1549
Type:
Ph.D.
Month:
February
Quantum chemical studies on zeolite cluster models: electronic structure and interaction with small molecules
Division:
Physical and Materials Chemistry Division
Organization:
Year:
1999
Guide:
University:
University of Poona
AccNo:
TH1195
Type:
Ph.D.
Month:
April
Response of quasi-degenerate systems using the exponential ansatz: molecular properties
Division:
Physical and Materials Chemistry Division
Organization:
Year:
1999
Guide:
University:
University of Poona
AccNo:
TH1164
Type:
Ph.D.
Month:
June
Some formal aspects of chemical hardness and its relation with energies and molecular properties
Division:
Physical and Materials Chemistry Division
Organization:
Year:
1995
Guide:
University:
University of Poona
AccNo:
TH1034
Type:
Ph.D.
Month:
September
Structural, conformational and reactivity studies on DNA base pairs and phospholipids using density functional theory (DFT)
Division:
Physical and Materials Chemistry Division
Organization:
Year:
2014
Guide:
University:
University of Pune
AccNo:
TH2024
Type:
Ph.D.
Month:
February
Structure and reactivity study of beta zeolite and al metal clusters using density functional theory
Division:
Physical and Materials Chemistry Division
Organization:
Year:
2010
Guide:
University:
University of Pune
AccNo:
TH1824
Type:
Ph.D.
Month:
December
Co-Guide:
Studies in theoretical investigations on catalytic properties of gold clusters
Division:
Physical and Materials Chemistry Division
Organization:
Year:
2011
Guide:
University:
University of Pune
AccNo:
TH1882
Type:
Ph.D.
Month:
November
Studies of molecular properties using state-universal multi-reference coupled-cluster approach
Division:
Physical and Materials Chemistry Division
Organization:
Year:
2004
Guide:
University:
University of Pune
AccNo:
TH1400
Type:
Ph.D.
Month:
April
Study of a rational model of gas phase molecules in external electric field and in solvents using local reactivity descriptors
Division:
Physical and Materials Chemistry Division
Organization:
Year:
2009
Guide:
University:
University of Pune
AccNo:
TH1741
Type:
Ph.D.
Month:
May
Study of magnetic properties of molecules using coupled-cluster theory
Division:
Physical and Materials Chemistry Division
Organization:
Year:
2011
Guide:
University:
University of Pune
AccNo:
TH1878
Type:
Ph.D.
Month:
July
Co-Guide:
Study of molecular properties and resonance within the coupled cluster framework
Division:
Physical and Materials Chemistry Division
Organization:
Year:
2014
Guide:
University:
Savitribai Phule Pune University
AccNo:
TH2043
Type:
Ph.D.
Month:
September
Co-Guide:
Study of molecular properties using linear response approach to density functional theory
Division:
Physical and Materials Chemistry Division
Organization:
Year:
2007
Guide:
University:
University of Pune
AccNo:
TH1568
Type:
Ph.D.
Month:
March
Study of molecular vibration using coupled cluster theory
Division:
Physical and Materials Chemistry Division
Organization:
Year:
2010
Guide:
University:
University of Pune
AccNo:
TH1826
Type:
Ph.D.
Month:
December
Study of response properties using coupled cluster method
Division:
Physical and Materials Chemistry Division
Organization:
Year:
2013
Guide:
University:
University of Pune
AccNo:
TH1965
Type:
Ph.D.
Month:
January
Study of structural and bonding properties of some mixed metal clusters and beta zeolite using density functional theory
Division:
Physical and Materials Chemistry Division
Organization:
Year:
2005
Guide:
University:
University of Pune
AccNo:
TH1451
Type:
Ph.D.
Month:
July
Co-Guide:
Synthesis, functionalization and applications of carbon nanotubes
Division:
Physical and Materials Chemistry Division
Organization:
Year:
2011
Guide:
University:
University of Pune
AccNo:
TH1869
Type:
Ph.D.
Month:
February
Co-Guide:
Theoretical investigation on structure and reactivity properties of molecule and metal clusters: a conceptual DFT and ab initio molecular dynamics approach
Division:
Physical and Materials Chemistry Division
Organization:
Year:
2015
Guide:
University:
Savitribai Phule Pune University
AccNo:
TH2120
Type:
Ph.D.
Month:
March
Theoretical studies on some aspects of chemical reactivity using density based descriptors
Division:
Physical and Materials Chemistry Division
Organization:
Year:
2002
Guide:
University:
University of Pune
AccNo:
TH1335
Type:
Ph.D.
Month:
August