Experimental and Theoretical Studies of Molecular Complexes

Experimental and Theoretical Studies of Molecular Complexes PDF Author: Maganthran Ganesan Govender
Publisher:
ISBN:
Category : Complex compounds
Languages : en
Pages : 960

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Experimental and Theoretical Studies of Molecular Complexes

Experimental and Theoretical Studies of Molecular Complexes PDF Author: Maganthran Ganesan Govender
Publisher:
ISBN:
Category : Complex compounds
Languages : en
Pages : 960

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Book Description


Experimental and Theoretical Studies on Molecular Complexes

Experimental and Theoretical Studies on Molecular Complexes PDF Author: Roger S. Storm
Publisher:
ISBN:
Category :
Languages : en
Pages : 326

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Experimental and Theoretical Studies on Small Singly and Doubly Charged Molecular Ions and Ionic Complexes

Experimental and Theoretical Studies on Small Singly and Doubly Charged Molecular Ions and Ionic Complexes PDF Author: Frederick R. Bennett
Publisher:
ISBN:
Category :
Languages : en
Pages : 142

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Theoretical studies for various molecular complexes and their interactions

Theoretical studies for various molecular complexes and their interactions PDF Author:
Publisher:
ISBN:
Category :
Languages : en
Pages :

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Experimental and Theoretical Studies of Weakly Bound Molecules

Experimental and Theoretical Studies of Weakly Bound Molecules PDF Author: Helen Oi-Lun Leung
Publisher:
ISBN:
Category : Intermolecular forces
Languages : en
Pages : 410

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Complexity in Chemistry and Beyond: Interplay Theory and Experiment

Complexity in Chemistry and Beyond: Interplay Theory and Experiment PDF Author: Craig Hill
Publisher: Springer
ISBN: 9400755481
Category : Science
Languages : en
Pages : 247

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Book Description
Complexity occurs in biological and synthetic systems alike. This general phenomenon has been addressed in recent publications by investigators in disciplines ranging from chemistry and biology to psychology and philosophy. Studies of complexity for molecular scientists have focussed on breaking symmetry, dissipative processes, and emergence. Investigators in the social and medical sciences have focused on neurophenomenology, cognitive approaches and self-consciousness. Complexity in both structure and function is inherent in many scientific disciplines of current significance and also in technologies of current importance that are rapidly evolving to address global societal needs. Several of these multifaceted scientific disciplines are addressed in this book including complexity from the general and philosophical perspective, magnetic phenomena, control of self assembly and function in large multicomponent clusters, application of theory to probe structure and mechanism in highly complex molecular species, and the design of multifunctional nanoscale molecules of value in decontamination and solar fuels research. Each chapter is both a review and addresses some ongoing challenges, thus each should provide a good preparation for further work in these highly active areas of research endeavour.

Non-covalent Interactions

Non-covalent Interactions PDF Author: Pavel Hobza
Publisher: Royal Society of Chemistry
ISBN: 1847558534
Category : Science
Languages : en
Pages : 239

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Book Description
Co-authored by an experimentalist (Klaus M3ller-Dethlefs ) and theoretician (Pavel Hobza), the aim of this book is to provide a general introduction into the science behind non-covalent interactions and molecular complexes using some important experimental and theoretical methods and approaches.

Experimental and Theoretical Studies of Molecular Solids

Experimental and Theoretical Studies of Molecular Solids PDF Author:
Publisher:
ISBN:
Category :
Languages : en
Pages : 13

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Book Description
Work over a three year period on the optical and dielectric properties of a sequence of ionic molecular solids such as K2SeO4, KNO, and NaNO2 is described. This work had both experimental and theoretical components. Principally the experiments used light scattering and birefringence to monitor structural and optical changes associated with solid-solid phase transitions. Theoretical studies concentrated on developing a unified theory of the ionic interactions in these systems which resulted in parameter free molecular dynamics simulations which closely reproduced the observed transition and structural behavior of these increasingly complex systems. Ferroelectrics, Phase, Transitions, Ionic, Molecular, Solids.

Photoprocesses in Transition Metal Complexes, Biosystems and Other Molecules. Experiment and Theory

Photoprocesses in Transition Metal Complexes, Biosystems and Other Molecules. Experiment and Theory PDF Author: E. Kochanski
Publisher: Springer Science & Business Media
ISBN: 9401126984
Category : Science
Languages : en
Pages : 448

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Book Description
The scope of this paper is to recall fundamental notions of the molecular spectroscopy and dynamics, necessary for discussion of photophysical and photochemical processes in condensed phases. We will thus treat in a more detailed way the specific features which are important for molecular systems strongly interacting with their environment. Other aspects such as the time evolution of isolated molecules, single-level excitation and state-to-state chemistry, important for the gas-phase photophysics are omitted. We start (Sec.2) with a brief description of radiative processes (light absorption and emission) in molecules. In the quantum-mechanical treatment of this problem, the appropriate basis is that of so-called zero-order states, corresponding to the traditional scheme of electronic states (singlets, doublets, triplets etc.) and vibrational levels belonging to each state. The important point will be deduction of selection rules for most radiative transitions. At this stage all molecular states are considered as stationary states. In order to treat the breakdown of simple selection rules and non-radiative transitions between individual molecular states, it is necessary to take into account the mechanisms coupling the zero-order states (Sec.3). We will first focus on intramolecular coupling effects and then discuss the solvent effects on intramolecular relaxation processes. The problem of the non-radiative transfer of the electronic energy between different molecules - closely related to that of the energy dissipation within a single molecule will be treated in Sec.4.

Theory of Atomic and Molecular Clusters

Theory of Atomic and Molecular Clusters PDF Author: Julius Jellinek
Publisher: Springer Science & Business Media
ISBN: 364258389X
Category : Science
Languages : en
Pages : 438

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Book Description
The emergence and spectacularly rapid evolution of the field of atomic and molecular clusters are among the most exciting developments in the recent history of natural sciences. The field of clusters expands into the traditional disciplines of physics, chemistry, materials science, and biology, yet in many respects it forms a cognition area of its own. This book presents a cross section of theoretical approaches and their applications in studies of different cluster systems. The contributions are written by experts in the respective areas. The systems discussed range from weakly (van der Waals) bonded, through hydrogen- and covalently bonded, to semiconductor and metallic clusters. The theoretical approaches involve high-level electronic structure computations, more approximate electronic structure treatments, use of semiempirical potentials, dynamical and statistical analyses, and illustrate the utility of both classical and quantum mechanical concepts.