000 00962 a2200265 4500
001 379966
003 OSt
005 20230218121159.0
008 230218b |||||||| |||| 00| 0 eng d
040 _cIITB
041 _aeng
080 _a043:541.486
_bSin
100 _aSingh, Saurabh Kumar
_eAuthor
_934009
245 _aDensity functional and ab initio modelling of spin-hamiltonian parameters in transition metal and lanthanide based complexes (R)
260 _aMumbai
_c2015
_bIIT
300 _av, 267 p.
_c30 cm
502 _aThesis
_bPh.D.
_cIndian Institute of Technology Bombay. Department of Chemistry.
_d2015
650 _aTransition metal complexes
_9221
650 _a Transition metal catalysts
_91383
650 _aLigand field theory
_99311
650 _aDensity functionals
_93237
700 _aRajaraman, Gopalan
_eSupervisor
_934010
710 _aIndian Institute of Technology Bombay.
_bDepartment of Chemistry
_9169
942 _cTD
_2udc
999 _c237023
_d237023