Excited states dynamics in time-dependent density functional theory [PDF]
Alberto Castro+4 more
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Using supramolecular monomers, various hydrogel culture systems were formulated to culture protoplasts; including 2D, 2.5D, and 3D hydrogels. Depending on the culture platform, bioactive functionalization led to protoplast enlargement (2D and 2.5D) or plasmolysis (3D). This work shows the potential to modularly engineer synthetic platforms for cellular
Maritza M. Rovers+3 more
wiley +1 more source
Quantum many-body dynamics in a Lagrangian frame: II. Geometric formulation of time-dependent density functional theory [PDF]
I. V. Tokatly
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Investigation of Aggregation Induced Emission Mechanism of Tetrabenzoheptafulvalene Derivative by Spin-Flip Time-Dependent Density Functional Theory (SF-TDDFT). [PDF]
Aarzoo, Roy RK.
europepmc +1 more source
The invasive pest Halyomorpha halys causes significant crop losses requiring innovative pest control strategies such as RNA interference (RNAi). However, oral RNAi is largely ineffective in H. halys. This study shows that double‐stranded DNA (dsDNA) stabilizes dsRNA in saliva by inhibiting a highly expressed nuclease.
Venkata Partha Sarathi Amineni+2 more
wiley +1 more source
Measuring the Kernel of Time-Dependent Density Functional Theory with X-Ray Absorption Spectroscopy of
Andreas Scherz+6 more
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Interaction of a 1,3-Dicarbonyl Toxin with Ru(II)-Biimidazole Complexes for Luminescence Sensing: A Spectroscopic and Photochemical Experimental Study Rationalized by Time-Dependent Density Functional Theory Calculations. [PDF]
Quílez-Alburquerque J+4 more
europepmc +1 more source
LIN28B Promotes Cancer Cell Dissemination and Angiogenesis
Children diagnosed with high‐risk neuroblastoma have a 5‐year event‐free survival rate of less than 50% and poor outcomes after recurrence. Deregulation of the LIN28B oncogene can be addressed in these patients. Upregulation of LIN28B is shown to support the metastatic cascade.
Diana Corallo+8 more
wiley +1 more source
octopus: a tool for the application of time‐dependent density functional theory [PDF]
Alberto Castro+8 more
openalex +1 more source
Excited-State Forces with the Gaussian and Augmented Plane Wave Method for the Tamm-Dancoff Approximation of Time-Dependent Density Functional Theory. [PDF]
Sertcan Gökmen B, Hutter J, Hehn AS.
europepmc +1 more source