Results 101 to 110 of about 153,743 (299)

Doxorubicin (DOX) Gadolinium–Gold-Complex: A New Way to Tune Hybrid Nanorods as Theranostic Agent

open access: yesInternational Journal of Nanomedicine, 2021
Memona Khan,1 Sarah Boumati,2 Celia Arib,1 Amadou Thierno Diallo,1 Nadia Djaker,1 Bich-thuy Doan,2 Jolanda Spadavecchia1 1CNRS, UMR 7244, CSPBAT, Laboratoire de Chimie, Structures et Propriétés de Biomatériaux et d’Agents Th ...
Khan M   +6 more
doaj  

Quantum Chemistry Investigation of Linear and Nonlinear (chir)optical Properties of Oligoamide Foldamers

open access: yesChemistryEurope, EarlyView.
The linear and nonlinear (chir)optical properties of four oligoamide foldamers with different donor groups are studied by means of time‐dependent density functional theory calculations. It is shown that stronger donors yield larger hyperpolarizabilities due to low‐lying charge–transfer states. The agreement with the experiments concerning the key bands
Komlanvi Sèvi Kaka   +5 more
wiley   +1 more source

Importance économique du Port Autonome de Liège: rapport 2002 [PDF]

open access: yes
This paper provides an extensive overview of the economic importance and development of the Port Autonome de Liège, over the period 1997 - 2002. Focusing on the three major variables of value added, salaried employment and investment, it also provides ...
Frédéric Lagneaux
core  

Organophotoredox/Cobalt‐Catalyzed Retro‐Hydroformylation of Aldehydes

open access: yesChemistryEurope, EarlyView.
A new photoredox/cobalt retro‐hydroformylation is developed. This one‐pot two‐step process involves the in situ formation of the corresponding 1,4‐dihydropyridine as key intermediate. Under mild reaction conditions, alkenes are efficiently produced from a wide range of aliphatic α‐monosubstituted aldehydes, with high functional‐group tolerance.
Augustin Nouaille   +3 more
wiley   +1 more source

Wavelet-Based Linear-Response Time-Dependent Density-Functional Theory

open access: yes, 2011
Linear-response time-dependent (TD) density-functional theory (DFT) has been implemented in the pseudopotential wavelet-based electronic structure program BigDFT and results are compared against those obtained with the all-electron Gaussian-type orbital ...
Abe   +91 more
core   +1 more source

Enantioselective Synthesis of Sulfinamidines via Asymmetric Rhodium–Catalyzed Imidation of Sulfenamides

open access: yesChemistryEurope, EarlyView.
In this work, a catalytic enantioselective imidation approach is presented for the preparation of enantioenriched sulfinamidines from sulfenamides, employing a chiral dirhodium(II) tetracarboxylate catalyst. This method enables the imidation of N,N‐bisalkyl sulfenamides in yields of up to 98% and enantiomeric ratios up to 98:2, with a catalyst loading ...
Michael Andresini   +7 more
wiley   +1 more source

Dipolar Molecular Motor Candidates with Planar Chirality

open access: yesChemistry – A European Journal, EarlyView.
Two prototypes of molecular motors with simultaneous implementation of planar chirality and a permanent dipole have been designed and synthesized in 7 steps with overall yields of 2.8 to 5.5%. Abstract Two molecular motor candidates built around ruthenium(II) centers featuring both planar chirality and a permanent dipole have been synthesized in seven ...
Thomas A. Hector   +5 more
wiley   +1 more source

Extension of the composite CBS-QB3 method to singlet diradical calculations

open access: yes, 2007
The composite CBS-QB3 method is widely used to obtain accurate energies of molecules and radicals although its use in the case of singlet diradicals gives rise to some difficulties.
Baptiste Sirjean   +24 more
core   +1 more source

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