Theory of solvent effects on electronic spectra (original) (raw)
Solvent effects on electronic spectra studied by multiconfigurational perturbation theory
Gunnar Karlström
International Journal of Quantum Chemistry, 1997
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Modeling Solvent Effects on Electronic Excited States
Federico Zahariev
The Journal of Physical Chemistry Letters, 2011
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Solvent Effects on the Electronic Spectra of Transition Metal Complexes
Jeffrey Reimers
Chemical Reviews, 2000
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Solvent Effects on Electronically Excited States Using the Conductor-Like Screening Model and the Second-Order Correlated Method ADC(2)
Leticia León González
Journal of Chemical Theory and Computation, 2013
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Theoretical study of the role of solvent Stark effect in electron transitions
Jose Carlos Corchado
Theoretical Chemistry Accounts, 2011
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Estimation of the solvent reorganization energy and the absolute energy of solvation of charge-transfer states from their emission spectra
Claudia Solís
Photochemical & Photobiological Sciences, 2010
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A hybrid approach for the solvent effect on the electronic structure of a solute based on the RISM and Hartree-Fock equations
Fumio Hirata
Chemical Physics Letters, 1993
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2. Molecules in different environments: Solvatochromic effects using Monte Carlo simulation and semi-empirical quantum mechanical calculations
Kaline Coutinho
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Tackling solvent effect by coupling electronic and molecular Density Functional Theory
Daniel Borgis
2020
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Solvent Effects on Molecular and Ionic Spectra. 4. Photochemistry of Fe2+(H2O)6 in Water Revisited: Possible Mechanisms for the Primary Absorption Process Leading to Electron Ejection
Simon Craw
The Journal of Physical Chemistry, 1994
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On the theory of solvent effects
Orlando Tapia
Theoretical Chemistry Accounts, 1978
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Molecular orbital modeling of solvent effects on excited states of organic molecules
Luis Montero
Journal of Molecular Structure-theochem, 1998
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Solvent effects in electronically excited states using the continuum solvation model COSMO in combination with multireference configuration interaction with singles and doubles (MR-CISD)
Thomas Müller
Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta), 2004
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Theoretical Basis for the Treatment of Solvent Effects in the Context of Density Functional Theory
Renato Contreras
Understanding Chemical Reactivity, 2002
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The Role Played by Orbital Energetics in Solvent Mediated Electronic Coupling †
Andrew M Napper, David Waldeck
The Journal of Physical Chemistry A, 2002
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An explicit quantum chemical solvent model for strongly coupled solute–solvent systems in ground or excited state
Gunnar Karlström
Solvation Effects on Molecules and Biomolecules, 2008
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Convergence of Excitation Energies in Mixed Quantum and Classical Solvent: Comparison of Continuum and Point Charge Models
Thomas Peev
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A quantum solute–solvent interaction using spectral representation technique applied to the electronic structure theory in solution
Fumio Hirata
The Journal of Chemical Physics, 2003
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Solvent effects on optical properties of molecules: A combined time-dependent density functional theory/effective fragment potential approach
Federico Zahariev
The Journal of Chemical Physics, 2008
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Development of solvation theories focused on solvation structure and electronic structure
Daisuke Yokogawa
2008
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Excited state properties of sizable molecules in solution: from structure to reactivity
Roberto Improta
Theoretical Chemistry Accounts, 2007
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Modeling the Effect of Solvents on Nonradiative Singlet Oxygen Deactivation: Going beyond Weak Coupling in Intermolecular Electronic-to-Vibrational Energy Transfer
Peter Ogilby
The Journal of Physical Chemistry B
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Advanced dielectric continuum models of solvation, their connection to microscopic solvent models, and application to electron transfer reactions
Ivan Rostov
1999
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Solvent Perturbation of the Electronic Intensity of Solvated Absorbing Molecules
Sikiru A K I N Y E Y E Ahmed
Physical Chemistry, 2012
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Computational and Spectral Means for Characterizing the Intermolecular Interactions in Solutions and for Estimating Excited State Dipole Moment of Solute
Antonina Todirascu
Symmetry
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The development of quantum mechanical solvent effect models. Macroscopic electrostatic contributions
Ralph Christoffersen
Journal of the American Chemical Society, 1976
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Quantum Mechanics Study of the Spectroscopic Properties of Molecules in Solution
Sylvio Canuto
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Solvent Dependence of the Spectra and Kinetics of Excited-State Charge Transfer in Three (Alkylamino)benzonitriles
Kevin Dahl
The Journal of Physical Chemistry B, 2005
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