Aggregation-Induced Emission with Alkynylcoumarin Dinuclear Gold(I) Complexes: Photophysical, Dynamic Light Scattering, and Time-Dependent Density Functional Theory Studies. [PDF]
Inorg Chem, 2022 Cunha C +4 more
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Time-dependent density functional theory treatment of the first UV absorption band in all-transoid permethyloligosilanes SinMe2n+2 (n = 2-8, 10) [PDF]
, 2003 David Rooklin +3 more
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Application of time-dependent density functional theory to electron-vibration coupling in benzene
, 2000 Amanda Schnell +2 more
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Prediction of Two-Photon Absorption Properties for Organic Chromophores Using Time-Dependent Density-Functional Theory [PDF]
, 2003 Artëm E. Masunov, Sergei Tretiak
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QMol-grid : A MATLAB package for quantum-mechanical simulations in atomic and molecular systems
SoftwareXThe QMol-grid package provides a suite of routines for performing quantum-mechanical simulations in atomic and molecular systems, currently implemented in one spatial dimension.
François Mauger, Cristel Chandre
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Calculation of the 𝓐 term of magnetic circular dichroism based on time dependent-density functional theory I. Formulation and implementation [PDF]
, 2004 Michael Seth +5 more
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Excited states dynamics in time-dependent density functional theory [PDF]
, 2004 Alberto Castro +4 more
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