Browsing Inorganic and Physical Chemistry (IPC) by thesis submitted date"1994"
Now showing items 1-7 of 7
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Ab initio quantum chemical studies on the molecular geometry, force field and vibrational spectra of diborane and related compounds .
A good quality force?constant set for a polyatomic molecule can be derived from ab initio calculations using the L?matrix without recourse to arbitrary scale factors or extra computational effort. The RECOVES procedure can ... -
Combustion synthesis and properties of ferroelectrics, relaxor ferroelectrics & microwave resonator materials
Dielectric materials include ferroelectrics, relaxor ferroelectrics and microwave resonators which are classified on the basis of their dielectric performances like dielectric constant, dielectric loss and piezoelectric ... -
Dynamics of I*(2p1/2) production in the UV photodissociationof alkyl iodides
The photodissociation dynamics of alkyl iodides in their A?band of absorption (arising from n ? ?* transition) has been of interest for dynamicists for the past three decades, starting from the pioneering work of Kasper ... -
Studies on the reactivity of dicopper (II) tetraacetate dihydrate towards N-donor ligands
Abstract not available -
Theoretical studies on hydrogen transfer reactions
The present analysis reveals the following features: (i) The calculated activation barriers via both configuration mixing approach (using equations 2.1–2.4) and quantum chemical methods (using MNDO/RHF/CI and AM1/RHF/CI) ...