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Quantum Chemistry and Dynamics of Excited States

An introduction to the rapidly evolving methodology of electronic excited states For academic researchers, postdocs, graduate and;

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Theoretical Chemistry for Electronic Excited States

, and non-adiabatic dynamics, have been brought together into one volume. Theoretical Chemistry for Electronic Excited States is aimed at both;

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Electronic Structure Calculations

presents an accessible overview of the field for graduate students and senior researchers of theoretical and computational chemistry, condensed;

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Concepts and Methods in Modern Theoretical Chemistry

Concepts and Methods in Modern Theoretical Chemistry: Electronic Structure and Reactivity, the first book in a two-volume set, focuses on;

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Concepts and Methods in Modern Theoretical Chemistry

Concepts and Methods in Modern Theoretical Chemistry: Electronic Structure and Reactivity, the first book in a two-volume set, focuses on;

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Highly Excited Molecules

Integrating both theoretical and experimental approaches, this unique book examines transition states and chemical reactivity, and will be;

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Theoretical Chemistry for Advanced Nanomaterials

-dimensional nanochannel. Finally, forthcoming theoretical methods for excited states and quantum dynamics are introduced in Part V.;

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Concepts and Methods in Modern Theoretical Chemistry

in Modern Theoretical Chemistry: Electronic Structure and Reactivity includes articles on DFT, particularly the functional and conceptual aspects;

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High Resolution Electronic Spectroscopy of Small Molecules

reference for graduate students and researchers in physics and chemistry working on theoretical and practical aspects of electronic spectra, as well;

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High Resolution Electronic Spectroscopy of Small Molecules

indispensable reference for graduate students and researchers in physics and chemistry working on theoretical and practical aspects of electronic;

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Excited States And Photo-Chemistry Of Organic Molecules

, and photochemistry. Simple qualitative models, such as the perimeter model, are used to describe the nature of electronic states, and this;

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Molecular Physics

states, potential curves, and spectra of molecules. The different methods of approximation for the calculation of electronic wave functions and;

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Gas-Phase Photoprocesses

This book provides details of the basic frameworks and characteristics of processes occurring in electronically excited states of small;

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Gas-Phase Photoprocesses

This book provides details of the basic frameworks and characteristics of processes occurring in electronically excited states of small;

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Theoretical Chemistry for Experimental Chemists

This book presents active application aspects of theoretical chemistry, and is particularly intended for experimental chemists, ranging;

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Molecular Electronic-Structure Theory

* Coupled-cluster theory for ground and excited states * Perturbation theory for single- and multi-configurational states * Linear-scaling;

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Theoretical Organic Chemistry

This volume is devoted to the various aspects of theoretical organic chemistry. In the nineteenth century, organic chemistry was primarily;

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Advances in Chemical Modeling

theory (DFT); Structural Computational Chemistry: Covering theoretical studies of organic molecules in ground and excited states while modelling;

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Modern Quantum Chemistry

deals with the study of ground state of individual molecules and atoms as well as the transition and excited states that occur during chemical;

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Computational Methods in Lanthanide and Actinide Chemistry

states arising from open f-shells as well as large relativistic and electron correlation effects. A correct theoretical description of these;

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Phthalocyanines

aspects electronic spectroscopy excited state chemistry and physics chemical sensors biological aspects (e.g. photodynamic therapy of cancer) The;

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Electronic Processes in Organic Electronics: Bridging Nanostructure, Electronic States and Device Properties

The book covers a variety of studies of organic semiconductors, from fundamental electronic states to device applications, including;

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Aromaticity and Antiaromaticity - Concepts and Applications

electronic criteria of descriptors of aromaticity Practical discussions of heteroaromaticity, as well as Moebius aromaticity and excited state;

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Advances in Chemistry Research

vibrational properties of beryllium-vi polymorphs and their corresponding ground state and excited states using maximally-localized wannier functions;

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Organometallic Pincer Chemistry

Electronic and Steric Properties.- Gemma R. Freeman, J. A. Gareth Williams: Metal Complexes of Pincer Ligands: Excited States, Photochemistry, and;

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Isaiah Shavitt

In this Festschrift dedicated to the late Isaiah Shavitt (1925-2012) , selected researchers in theoretical chemistry present research;

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Electronic Structure Calculations for Solids and Molecules

Electronic structure problems are studied in condensed matter physics and theoretical chemistry to provide important insights into the;

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