1
Polaritonic Chemistry [E-Book] : Manipulating Molecular Structure Through Strong Light-Matter Coupling /
2
Electronic Properties of Organic Conductors [E-Book] /
Table of Contents: ...Quantum Chemistry of Molecules -- Quantum Chemistry of Solids -- Transport Properties -- Magnetism -- Electron Correlation -- Superconductivity -- Charge-Transfer Complexes -- Organic Semiconductors....

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3
Radiation Induced Molecular Phenomena in Nucleic Acids [E-Book] : A Comprehensive Theoretical and Experimental Analysis /
Table of Contents: ... Excited States of Molecules -- Exploring Photobiology and Biospectroscopy with the Sac-Ci (Symmetry-Adapted Cluster-Configuration Interaction) Method -- Multiconfigurational quantum chemistry for ground and excited states -- Relativistic Multireference...

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4
Correlation and Localization [E-Book] /
Table of Contents: ... Systems that are Locally Perturbed -- Local Electron Densities and Functional Groups in Quantum Chemistry -- Electron Correlation and Reduced Density Matrices -- Localization via Density Functionals....

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5
Organometallic Bonding and Reactivity [E-Book] : Fundamental Studies /
6
Ab Initio Calculations of Conformational Effects on 13C NMR Spectra of Amorphous Polymers [E-Book] /
Born, R.
1997
Table of Contents: ...From the contents: Introduction -- Notions and Concepts in Chain Molecules and Quantum Chemistry -- Method of ab initio Simulation of Solid State NMR Spectra -- The Example of Atactic Poly(propylene) -- Some Remarks on the Method -- Application to Other...

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7
Quantum-Mechanical Ab-initio Calculation of the Properties of Crystalline Materials [E-Book] /
8
Lecture Notes in Quantum Chemistry II [E-Book] : European Summer School in Quantum Chemistry /
Table of Contents: ...Notes on Hartree-Fock Theory and Related Topics -- Density Functional Theory -- Coupled-cluster Methods in Quantum Chemistry -- Methods of Relativistic Quantum Chemistry -- Exercises with Solutions....

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9
Photoprocesses in Transition Metal Complexes, Biosystems and Other Molecules. Experiment and Theory [E-Book] /
Table of Contents: ... Work: a Miscellany of AB Initio Quantum Chemistry. the Helium Atom Studied by Various Methods -- Posters -- List of Contributors -- List of Participants....

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10
Quantum Chemistry of Organic Compounds [E-Book] : Mechanisms of Reactions /
Table of Contents: ...1 Potential Energy Surfaces of Chemical Reactions -- 1.1 Introduction. Mechanism of Chemical Reaction and Quantum Chemistry -- 1.2 Choice of a Coordinate System and the Representation of a PES -- 1.3 Topography of the PES and Properties of a Reacting...

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11
Organometallics in Organic Synthesis [E-Book] : Aspects of a Modern Interdisciplinary Field /
Table of Contents: ...Organometallic Reactivity and Applied Quantum Chemistry — Some Aspects of CH-Activation -- The Functionalization of Hydrocarbons by Transition Metal Complexes: Aspects and Prospects -- Novel Metalla-Heterocycles Formed by [3+2], [2+2], and [2+3...

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12
Perspectives in Theoretical Stereochemistry [E-Book] /
13
The Unitary Group for the Evaluation of Electronic Energy Matrix Elements [E-Book] /
Table of Contents: .... CI-Energy Expressions in Terms of the Reduced Density Matrix Elements of a General Reference -- 17. The Unitary Group Formulation of Quantum Chemistry: Generator States -- 18. The Unitary Group Approach to Bonded Functions....

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14
Light Absorption of Organic Colorants [E-Book] : Theoretical Treatment and Empirical Rules /
Table of Contents: ...I. Phenomenological Conceptions on Color and Constitution -- II. UV/VIS Spectroscopy and Quantum Chemistry of Organic Colorants -- III. Relation Between Phenomenological and Quantum Chemical Theories -- IV. Theoretical Methods for Deriving Color...

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15
Organic Quantum Chemistry Problems [E-Book] /
16
Structure and Transformations of Organic Molecules [E-Book] /
Table of Contents: ...Quantum chemistry of nonbenzenoid cyclic conjugated hydrocarbons -- Some formal properties of the kinetics of pentacoordinate stereoisomerizations -- Radiochemical transformations and rearrangements in organometallic compounds....

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