[HTML][HTML] Recent developments in the PySCF program package
P y SCF is a Python-based general-purpose electronic structure platform that supports first-principles
simulations of molecules and solids as well as accelerates the development of new …
simulations of molecules and solids as well as accelerates the development of new …
Polymer architecture of magnetic gels: a review
R Weeber, M Hermes, AM Schmidt… - Journal of Physics …, 2018 - iopscience.iop.org
In this review article, we provide an introduction to ferrogels, ie polymeric gels with embedded
magnetic particles. Due to the interplay between magnetic and elastic properties of these …
magnetic particles. Due to the interplay between magnetic and elastic properties of these …
[HTML][HTML] Mid-IR hyperspectral imaging for label-free histopathology and cytology
M Hermes, RB Morrish, L Huot, L Meng… - Journal of …, 2018 - iopscience.iop.org
Mid-infrared (MIR) imaging has emerged as a valuable tool to investigate biological samples,
such as tissue histological sections and cell cultures, by providing non-destructive …
such as tissue histological sections and cell cultures, by providing non-destructive …
Efficacy and safety of intramuscular administration of tixagevimab–cilgavimab for early outpatient treatment of COVID-19 (TACKLE): a phase 3, randomised, double …
…, M Hermes, DH Colin, Y Hirai, M Hojo… - The Lancet …, 2022 - thelancet.com
Background Early intramuscular administration of SARS-CoV-2-neutralising monoclonal
antibody combination, tixagevimab–cilgavimab, to non-hospitalised adults with mild to …
antibody combination, tixagevimab–cilgavimab, to non-hospitalised adults with mild to …
Prediction and validation of cell alignment along microvessels as order principle to restore tissue architecture in liver regeneration
…, E Bedawy, W Schormann, M Hermes… - Proceedings of the …, 2010 - National Acad Sciences
Only little is known about how cells coordinately behave to establish functional tissue structure
and restore microarchitecture during regeneration. Research in this field is hampered by …
and restore microarchitecture during regeneration. Research in this field is hampered by …
Surface roughness directed self-assembly of patchy particles into colloidal micelles
… The synthesized colloids were washed and redispersed in 0.3% w/w aqueous polyvinyl
alcohol (M w … For depletion interaction, dextran polymers of M w = 110 kg/mol and M w …
alcohol (M w … For depletion interaction, dextran polymers of M w = 110 kg/mol and M w …
[PDF][PDF] Nitration of tyrosine 10 critically enhances amyloid β aggregation and plaque formation
MP Kummer, M Hermes, A Delekarte… - Neuron, 2011 - cell.com
… chamber field excitatory postsynaptic potentials (fEPSPs) were recorded in stratum radiatum
of CA1 region with a borosilicate glass micropipette (resistance 3–15 MU) filled with 3 M …
of CA1 region with a borosilicate glass micropipette (resistance 3–15 MU) filled with 3 M …
Hydrodynamic and contact contributions to continuous shear thickening in colloidal suspensions
Shear thickening is a widespread phenomenon in suspension flow that, despite sustained
study, is still the subject of much debate. The longstanding view that shear thickening is due to …
study, is still the subject of much debate. The longstanding view that shear thickening is due to …
The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry
The developments of the open-source OpenMolcas chemistry software environment since
spring 2020 are described, with a focus on novel functionalities accessible in the stable …
spring 2020 are described, with a focus on novel functionalities accessible in the stable …
Towards a unified description of the rheology of hard-particle suspensions
… (diameter d≲ 1 μ m) differs markedly from that of larger grains (d≳ 50 μ m). Each of these …
with intermediate particle sizes (1 μ m≲ d≲ 50 μ m), which occur ubiquitously in applications, …
with intermediate particle sizes (1 μ m≲ d≲ 50 μ m), which occur ubiquitously in applications, …