publication venue for
- Mori generalized master equations offer an efficient route to predict and interpret polaron transport. 2024
- Machine-learned molecular mechanics force fields from large-scale quantum chemical data. 2024
- Enhancing NIR-to-visible upconversion in a rigidly coupled tetracene dimer: approaching statistical limits for triplet-triplet annihilation using intramolecular multiexciton states 2024
- Multiexciton quintet state populations in a rigid pyrene-bridged parallel tetracene dimer 2023
- Stereoselective alkyl C-glycosylation of glycosyl esters via anomeric C-O bond homolysis: efficient access to C-glycosyl amino acids and C-glycosyl peptides 2023
- Unlocking the potential of polymeric desalination membranes by understanding molecular-level interactions and transport mechanisms 2023
- A site-differentiated [4Fe-4S] cluster controls electron transfer reactivity of Clostridium acetobutylicum [FeFe]-hydrogenase I 2022
- A pillar[5]arene-based covalent organic framework with pre-encoded selective host-guest recognition 2021
- By-design molecular architectures via alkyne metathesis 2021
- Alloying a single and a double perovskite: a Cu+/2+ mixed-valence layered halide perovskite with strong optical absorption 2021
- Understanding how Lewis acids dope organic semiconductors: a "complex" story 2021
- Fast reversible isomerization of merocyanine as a tool to quantify stress history in elastomers 2021
- Bridging photochemistry and photomechanics with NMR crystallography: the molecular basis for the macroscopic expansion of an anthracene ester nanorod 2021
- An experimental approach for controlling confinement effects at catalyst interfaces 2020
- Interpretable molecular models for molybdenum disulfide and insight into selective peptide recognition 2020
- Conversion between triplet pair states is controlled by molecular coupling in pentadithiophene thin films 2020
- Electrochemical CO2 reduction on nanostructured metal electrodes: fact or defect? 2020
- Tuning the bandgap of Cs2AgBiBr6 through dilute tin alloying 2019
- Total synthesis of micrococcin P1 and thiocillin I enabled by Mo(vi) catalyst 2019
- Simultaneous nitrosylation and N-nitrosation of a Ni-thiolate model complex of Ni-containing SOD 2018
- Cage-templated synthesis of highly stable palladium nanoparticles and their catalytic activities in Suzuki-Miyaura coupling 2018
- Dynamic covalent synthesis of aryleneethynylene cages through alkyne metathesis: dimer, tetramer, or interlocked complex? 2016
- Polymorphism influences singlet fission rates in tetracene thin films 2016
- A faux hawk fullerene with PCBM-like properties 2015
- Atomic-scale identification of Pd leaching in nanoparticle catalyzed C-C coupling: effects of particle surface disorder 2015
- Mesoporous 2D covalent organic frameworks based on shape-persistent arylene-ethynylene macrocycles 2015
- Reversible photo-induced trap formation in mixed-halide hybrid perovskites for photovoltaics 2015
- Ferroelectric and antiferroelectric odd-even behavior in a tricarbosilane-terminated liquid crystal homologous series 2014
- Reversible tuning of pore size and CO2 adsorption in azobenzene functionalized porous organic polymers 2014
- Synthesis and solution-state dynamics of donor-acceptor oligorotaxane foldamers 2013
- Microwave-assisted syntheses of highly CO2-selective organic cage frameworks (OCFs) 2012
- Polymethine dyes for all-optical switching applications: a quantum-chemical characterization of counter-ion and aggregation effects on the third-order nonlinear optical response 2012
- A quantum-chemical perspective into low optical-gap polymers for highly-efficient organic solar cells 2011
- Solution processable polydiacetylenes (PDAs) through acyclic enediyne metathesis polymerization 2013