Photothermal therapy and photoacoustic imaging via nanotheranostics in fighting cancer
The nonradiative conversion of light energy into heat (photothermal therapy, PTT) or sound
energy (photoacoustic imaging, PAI) has been intensively investigated for the treatment and …
energy (photoacoustic imaging, PAI) has been intensively investigated for the treatment and …
Synthesis of BODIPY dyes through postfunctionalization of the boron dipyrromethene core
Fluorophores based on the 4-bora-3a, 4a-diaza-s-indacene (aka boron dipyrromethene,
boron dipyrrin, or BODIPY) platform have found diverse applications in different fields of …
boron dipyrrin, or BODIPY) platform have found diverse applications in different fields of …
A mountaineering strategy to excited states: Highly accurate reference energies and benchmarks
Striving to define very accurate vertical transition energies, we perform both high-level
coupled cluster (CC) calculations (up to CCSDTQP) and selected configuration interaction …
coupled cluster (CC) calculations (up to CCSDTQP) and selected configuration interaction …
The design and bioimaging applications of NIR fluorescent organic dyes with high brightness
J Wu, Z Shi, L Zhu, J Li, X Han, M Xu… - Advanced Optical …, 2022 - Wiley Online Library
Due to the merits of decreased photon attenuation, autofluorescence, and scattering, the
near‐infrared (NIR, 700–1700 nm) region is an important window in the field of biomedicine …
near‐infrared (NIR, 700–1700 nm) region is an important window in the field of biomedicine …
BODIPY dye, the most versatile fluorophore ever?
J Banuelos - The Chemical Record, 2016 - Wiley Online Library
BODIPY laser dyes constitute a fascinating topic of research in modern photochemistry due
to the large variety of options its chromophore offers, which is ready available for a multitude …
to the large variety of options its chromophore offers, which is ready available for a multitude …
Assessing the performances of CASPT2 and NEVPT2 for vertical excitation energies
Methods able to simultaneously account for both static and dynamic electron correlations
have often been employed, not only to model photochemical events but also to provide …
have often been employed, not only to model photochemical events but also to provide …
The Bethe–Salpeter equation in chemistry: relations with TD-DFT, applications and challenges
We review the many-body Green's function Bethe–Salpeter equation (BSE) formalism that is
rapidly gaining importance for the study of the optical properties of molecular organic …
rapidly gaining importance for the study of the optical properties of molecular organic …
0–0 Energies Using Hybrid Schemes: Benchmarks of TD-DFT, CIS(D), ADC(2), CC2, and BSE/GW formalisms for 80 Real-Life Compounds
The 0–0 energies of 80 medium and large molecules have been computed with a large
panel of theoretical formalisms. We have used an approach computationally tractable for …
panel of theoretical formalisms. We have used an approach computationally tractable for …
Reference energies for double excitations
Excited states exhibiting double-excitation character are notoriously difficult to model using
conventional single-reference methods, such as adiabatic time-dependent density functional …
conventional single-reference methods, such as adiabatic time-dependent density functional …
Quantum package 2.0: An open-source determinant-driven suite of programs
Y Garniron, T Applencourt, K Gasperich… - Journal of chemical …, 2019 - ACS Publications
Quantum chemistry is a discipline which relies heavily on very expensive numerical
computations. The scaling of correlated wave function methods lies, in their standard …
computations. The scaling of correlated wave function methods lies, in their standard …