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38 积分 2024-07-19 加入
Dinuclear Ruthenium(II)‐Pyrrolide Complexes Linked by Different Organic Units as PDT Photosensitizers: Computational Study of the Linker Influence on the Photophysical Properties*
2个月前
已完结
Computational methods for asymmetric catalysis
2个月前
已完结
Assessment of density functional theory based ΔSCF (self-consistent field) and linear response methods for longest wavelength excited states of extended π-conjugated molecular systems
2个月前
已完结
Application of an excited state LDA exchange energy functional for the calculation of transition energy of atoms within time-independent density functional theory
3个月前
已完结
Time-independent excited-state density functional theory: study of 1s22p3(4S) and 1s22p3(2D) states of the boron isoelectronic series up to Ne5+
3个月前
已完结
Local-density approximation for the exchange energy functional in excited-state density functional theory
3个月前
已完结
The role of three-center/four-electron bonds in superelectrophilic dirhodium carbene and nitrene catalytic intermediates
3个月前
已完结
Regulating the double-site Mn2-N6 electronic structure by manganese clusters for enhanced oxygen reduction
4个月前
已完结
Factors Controlling Cage Escape Yields of Closed- and Open-Shell Metal Complexes in Bimolecular Photoinduced Electron Transfer
5个月前
已完结
A Mechanoredox Catalyst Facilitates ATRP of Vinylcyclopropanes
5个月前
已完结
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