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Mori, Takehiko
2016
Table of Contents:
“...Quantum Chemistry of Molecules -- Quantum Chemistry of Solids -- Transport Properties -- Magnetism -- Electron Correlation -- Superconductivity -- Charge-Transfer Complexes -- Organic Semiconductors....”2016
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Leszczynski, Jerzy.
2008
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...”2008
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Bartlett, R. J.
1999
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....”1999
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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...”1997
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Roos, Björn O.
1994
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....”1994
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Kochanski, Elise
1992
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....”1992
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Minkin, Vladimir I.
1990
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...”1990
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Dieck, Heindirk tom
1988
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...”1988
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Hinze, Jürgen
1981
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....”1981
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Fabian, Jürgen
1980
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...”1980
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Nakajima, T.
1972
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....”1972
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