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008 230225b |||||||| |||| 00| 0 eng d
040 _cIITB
041 _aeng
080 _a043:541.486
_bGup
100 _aGupta, Tulika
_eAuthor
_934275
245 _aDensity functional and ab initio modelling of spin-hamiltonian parameters in [4f], [4f-4f], [3d-4f], [2p-4f] and [2p-3d-4f] complexes (R)
260 _aMumbai
_bIIT
_c2016
300 _a609 p.
_c30 cm
502 _aThesis
_bPh.D.
_cIndian Institute of Technology Bombay. Department of Chemistry.
_d2016
650 _aTransition metal complexes
_9221
650 _aTransition metal catalysts
_91383
650 _aLigand field theory
_99311
650 _aMagnetic materials
_9632
650 _aMolecular dynamics
_9487
700 _aRajaraman, Gopalan
_eSupervisor
_934010
710 _aIndian Institute of Technology Bombay.
_bDepartment of Chemistry
_9169
942 _cTD
_2udc
999 _c238051
_d238051