Assessment of n-Electron Valence State Perturbation Theory for Vertical Excitation Energies.
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Orbital reconstruction in nonpolar tetravalent transition-metal oxide layersPhotophysical properties of pyrrolocytosine, a cytosine fluorescent base analogue.Spectroscopic and Computational Investigation of Low-Spin Mn(III) Bis(scorpionate) Complexes.Excitation Energies of Canonical Nucleobases Computed by Multiconfigurational Perturbation Theories.Electronic couplings for molecular charge transfer: benchmarking CDFT, FODFT and FODFTB against high-level ab initio calculations. II.The IPEA dilemma in CASPT2.Excited states using the simplified Tamm-Dancoff-Approach for range-separated hybrid density functionals: development and application.A low-cost approach to electronic excitation energies based on the driven similarity renormalization group.A dynamic correlation dressed complete active space method: Theory, implementation, and preliminary applications.Highly efficient cold-white light emission in a [Au2CuCl2(P∩N)2]PF6 type salt.Comparison of fully internally and strongly contracted multireference configuration interaction procedures.Communication: A flexible multi-reference perturbation theory by minimizing the Hylleraas functional with matrix product states.Computational Modeling of Cobalt-Based Water Oxidation: Current Status and Future Challenges.
P2860
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P2860
Assessment of n-Electron Valence State Perturbation Theory for Vertical Excitation Energies.
description
2013 nî lūn-bûn
@nan
2013年の論文
@ja
2013年論文
@yue
2013年論文
@zh-hant
2013年論文
@zh-hk
2013年論文
@zh-mo
2013年論文
@zh-tw
2013年论文
@wuu
2013年论文
@zh
2013年论文
@zh-cn
name
Assessment of n-Electron Valen ...... Vertical Excitation Energies.
@en
type
label
Assessment of n-Electron Valen ...... Vertical Excitation Energies.
@en
prefLabel
Assessment of n-Electron Valen ...... Vertical Excitation Energies.
@en
P50
P356
P1476
Assessment of n-Electron Valen ...... Vertical Excitation Energies.
@en
P304
P356
10.1021/CT400136Y
P577
2013-07-31T00:00:00Z