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		Electronic structure methods for complex materials : the orthogonalized linear combination of atomic orbitals (e-book) by Ching, Wai-Yim \| Rulis, Paul Michael [Author]. Language: English Publication details: Oxford Oxford University Press 2012Online access: Click here to access online Availability: Items available for reference: Online (1) . Add to cart (remove)
		Time-dependent density-functional theory : concepts and applications (e-book) by Ullrich, Carsten A [Author]. Series: Oxford graduate texts Language: English Publication details: New York Oxford University Press 2012Online access: Click here to access online Availability: Items available for reference: Online (1) . Add to cart (remove)
		No cover image available Computational investigation on mechanism and selectivity of sulfur ylide promoted reactions (R) by Janardanan, Deepa [Author] \| Sunoj, R.B [Supervisor] \| Indian Institute of Technology Bombay. Department of Chemistry. Language: English Publication details: Bombay IIT 2009Dissertation note: Thesis Ph.D. Indian Institute of Technology Bombay. Department of Chemistry 2009 Availability: Items available for reference: Not for loan (1) Call number: 043:541.27:518.6 Jan. Add to cart (remove)
		No cover image available 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. Add to cart (remove)
		No cover image available 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. Add to cart (remove)
		No cover image available Density functional and ab initio investigation of magnetic exchange, magnetic anisotropy and spin crossover properties of transition metal based complexes (R) by Tewary, Subrata [Author] \| Rajaraman, G [Supervisor] \| Indian Institute of Technology Bombay. Department of Chemistry. Material type: Text; Format: print ; Literary form: Not fiction Language: English Publication details: Bombay IIT 2017Dissertation note: Thesis Ph.D. Indian Institute of Technology Bombay. Department of Chemistry 2017 Availability: Items available for reference: Not for loan (1) Call number: 043:541.139 Tew. Lists: Display List 24/12/2018-30/12/2018. Add to cart (remove)
		No cover image available Density functional and ab initio investigation on transition/lanthanide metal nanomagnets (R) by Singh, Mukesh Kumar \| Rajaraman, Gopalan [Superviosr] \| Indian Institute of Technology Bombay. Department of Chemistry. Material type: Text; Format: print ; Literary form: Not fiction Language: English Publication details: Mumbai IIT 2018Dissertation note: Thesis Ph.D. Indian Institute of Technology Bombay. Department of Chemistry 2018 Availability: Items available for reference: Not for loan (1) Call number: 043:541.486:546.5/.9 Sin. Lists: Display List 25/02/2019-03/03/2019. Add to cart (remove)
		No cover image available Probing the structure, bonding and reactivity of high-valent metal-oxo/nitrido species : a density functional theory exploration (R) by Pandey, Bhawana [Author] \| Rajaraman, Gopalan [Superviosr] \| Indian Institute of Technology Bombay. Department of Chemistry. Material type: Text; Format: print ; Literary form: Not fiction Language: English Publication details: Bombay IIT 2018Dissertation note: Thesis Ph.D. Indian Institute of Technology Bombay. Department of Chemistry 2018 Availability: Items available for reference: Not for loan (1) Call number: 043:541.128:577.15 Pan. Lists: Display List 18/02/2019-24/02/2019. Add to cart (remove)
		Energy density functional methods for atomic nuclei (e-book) by Schunck, Nicolas [Editor]. Series: IOP expanding physicsMaterial type: Text; Format: print ; Literary form: Not fiction Language: English Publication details: Bristol IOP Publishing 2019Online access: Click here to access online Availability: Items available for reference: Not for loan (1) . Add to cart (remove)

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