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Density functional theory studies on the mechanism of catalytic transformation mediated by high-valent iron/manganese/ chromium-oxo/superoxo species (R)

by Ansari, Azaj [Author] | Rajaraman, Gopalan [Supervisor] | Indian Institute of Technology Bombay. Department of Chemistry.

Language: English Publication details: Mumbai IIT 2016Dissertation note: Thesis Ph.D. Indian Institute of Technology Bombay. Department of Chemistry. 2016 Availability: Items available for reference: Not for loan (1) Call number: 043:541.128:546.7 Ans.

Density functional and ab initio modelling of spin-hamiltonian parameters in transition metal and lanthanide based complexes (R)

by Singh, Saurabh Kumar [Author] | Rajaraman, Gopalan [Supervisor] | Indian Institute of Technology Bombay. Department of Chemistry.

Language: English Publication details: Mumbai IIT 2015Dissertation note: Thesis Ph.D. Indian Institute of Technology Bombay. Department of Chemistry. 2015 Availability: Items available for reference: Not for loan (1) Call number: 043:541.486 Sin.

Synthetic and computational approach on novel transitional metal and 3d-4f molecular magnetic materials (R)

by Radhakrishnan, Vignesh Kuduva [Author] | Rajaraman, Gopalan [Supervisor] | Murray, Keith S [Supervisor] | Indian Institute of Technology Bombay. Department of Chemistry.

Language: English Publication details: Mumbai IIT 2016Dissertation note: Thesis Ph.D. Indian Institute of Technology Bombay. Department of Chemistry. 2016 Availability: Items available for reference: Not for loan (1) Call number: 043:541.486 Rad.

Computational approach for the estimation of exchange coupling constant and magnetic anisotropy in polynuclear transition metal and lanthanide complexes (R)

by Rajeshkumar, T [Author] | Rajaraman, Gopalan [Supervisor] | Indian Institute of Technology Bombay. Department of Chemistry.

Language: English Publication details: Mumbai IIT 2016Dissertation note: Thesis Ph.D. Indian Institute of Technology Bombay. Department of Chemistry. 2016 Availability: Items available for reference: Not for loan (1) Call number: 043:541.139 Raj.

Density functional and ab initio modelling of spin-hamiltonian parameters in [4f], [4f-4f], [3d-4f], [2p-4f] and [2p-3d-4f] complexes (R)

by Gupta, Tulika [Author] | Rajaraman, Gopalan [Supervisor] | Indian Institute of Technology Bombay. Department of Chemistry.

Language: English Publication details: Mumbai IIT 2016Dissertation note: Thesis Ph.D. Indian Institute of Technology Bombay. Department of Chemistry. 2016 Availability: Items available for reference: Not for loan (1) Call number: 043:541.486 Gup.

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