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The Journal of Physical Chemistry Letters|August 21, 2015
Prediction of Absolute Hydroxyl pKa Values for 3-Hydroxypyridin-4-onesYu-Lin Chen, Nikos L Doltsinis, Robert C Hider, et al.The Journal of Chemical Physics|March 15, 2023
Understanding the formation of surface relief gratings in azopolymers: A combined molecular dynamics and experimental studyMilena Merkel, Amala Elizabeth, Marcus Böckmann, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|January 6, 2011
Elucidating the origin of diastereoselectivity in a self-replicating system: selfishness versus altruismArne Dieckmann, Sabrina Beniken, Christian D Lorenz, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|March 31, 2018
Arylazopyrazole Photoswitches in Aqueous Solution: Substituent Effects, Photophysical Properties, and Host-Guest ChemistryLucas Stricker, Marcus Böckmann, Thomas M Kirse, et al.Dalton Transactions (Cambridge, England : 2003)|December 9, 2025
Correction: Copper(II)-mediated base pairing involving the artificial nucleobase 3<i>H</i>-imidazo[4,5-<i>f</i>]quinolin-5-olNikolas Sandmann, Jim Bachmann, Marian Hebenbrock, et al.Journal of the American Chemical Society|March 15, 2016
Arylazopyrazoles as Light-Responsive Molecular Switches in Cyclodextrin-Based Supramolecular SystemsLucas Stricker, Eva-Corinna Fritz, Martin Peterlechner, et al.The Journal of Chemical Physics|October 2, 2012
Ca2+ solvation as a function of p, T, and pH from ab initio simulationWaheed A Adeagbo, Nikos L Doltsinis, Michael Burchard, et al.Dalton Transactions (Cambridge, England : 2003)|February 22, 2017
Phosphorescent Pt(ii) complexes bearing a monoanionic C^N^N luminophore and tunable ancillary ligandsMarian Hebenbrock, Linda Stegemann, Jutta Kösters, et al.The Journal of Organic Chemistry|November 6, 2014
Light-controlled macrocyclization of tetrathiafulvalene with azobenzene: designing an optoelectronic molecular switchVladimir A Azov, Jens Cordes, Dirk Schlüter, et al.The Journal of Chemical Physics|May 10, 2011
Accelerating chemical reactions: exploring reactive free-energy surfaces using accelerated ab initio molecular dynamicsLevi C T Pierce, Phineus R L Markwick, J Andrew McCammon, et al.Pageof 10