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A Computational Study Of Nucleophilic Attacks In Organometallic Complexes
(2012-04-23)
A wide variety of computational methods are available for exploring molecular structures and reactivity in chemistry. These range from molecular mechanics calculations allowing determination of the geometry of a molecule ...
Exploration of Ti-based Anodes for Rechargeable Alkali-ion Batteries And Hybrid-ion Capacitors
From 600 B.C. till 1700 A.D., electricity remained the least understood form of energy and was considered "Magical." In the 18th century A.D., the electricity that mysteriously struck
Franklin as he arduously flew a kite ...
Phase Transformation Behavior Of Embedded Bimetallic Nanoscaled Alloy Particles In Immiscible Matrices
(2017-02-16)
The aim of the present thesis is to understand the phase transformation behavior of embedded alloy nanoparticles embedded in immiscible matrices. Embedded alloy inclusions have been dispersed in immiscible matrix via rapid ...
Thermoelectric Properties Of Manganese And Ytterbium Filled Cobalt Antimonide(CoSb3)
(2010-09-22)
Thermoelectric materials are solid state devices having the capability to convert heat to electrical energy and vice versa. These materials are simple, have no moving parts and use no greenhouse gases. But the major ...
Theoretical Studies on Excited-State Photodynamics: N-H Dissociation in Aniline and Intermolecular H atom Transfer in the 2-Amino Pyridine Dimer
DNA is composed of light-absorbing molecular units like adenine, guanine, thymine, cytosine,
etc. It is well-known that DNA as a whole is photostable upon exposure to sunlight.
The photostability of biomolecules suggests ...
Studies on switching of J and H aggregates in Donor-Acceptor molecular materials
The aggregation of molecular materials plays a central role in determining their functional
properties. In the aggregated state, conjugated chromophores may exhibit enhanced
emission, in comparison to their dilute ...
Studies on the synthesis and applications of I-III-VI2 semiconductor nanocrystals
Nanomaterials have been a topic of extensive research for the past several decades. This is because their properties act as a bridge between their bulk and atomic counterparts. Broadly, nanoparticles can be characterized ...