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Physical Chemistry Chemical Physics : PCCP|August 28, 2024
Simulation of the non-adiabatic dynamics of an enone-Lewis acid complex in an explicit solventMartin T Peschel, Jörg Kussmann, Christian Ochsenfeld, et al.ACS Energy Letters|February 20, 2018
H2 Evolution with Covalent Organic Framework PhotocatalystsTanmay Banerjee, Kerstin Gottschling, Gökcen Savasci, et al.Faraday Discussions|June 15, 2017
Structure-property-activity relationships in a pyridine containing azine-linked covalent organic framework for photocatalytic hydrogen evolutionFrederik Haase, Tanmay Banerjee, Gökcen Savasci, et al.Inorganic Chemistry|April 13, 2016
Intermolecular (119)Sn,(31)P Through-Space Spin-Spin Coupling in a Solid Bivalent Tin Phosphido ComplexJanet Arras, Klaus Eichele, Boris Maryasin, et al.Organic Letters|November 5, 2019
Why Proline? Influence of Ring-Size on the Collagen Triple HelixJasmine Egli, Tobias Schnitzer, Johannes C B Dietschreit, et al.Journal of Chemical Theory and Computation|January 29, 2021
Quantitative Comparison of Experimental and Computed IR-Spectra Extracted from Ab Initio Molecular DynamicsBeatriz von der Esch, Laurens D M Peters, Lena Sauerland, et al.The Journal of Chemical Physics|May 24, 2019
Calculating free energies from the vibrational density of states function: Validation and critical assessmentLaurens D M Peters, Johannes C B Dietschreit, Jörg Kussmann, et al.The Journal of Physical Chemistry. A|March 2, 2019
Identifying Free Energy Hot-Spots in Molecular TransformationsJohannes C B Dietschreit, Laurens D M Peters, Jörg Kussmann, et al.Journal of the American Chemical Society|April 6, 2006
Molecular tweezer and clip in aqueous solution: unexpected self-assembly, powerful host-guest complex formation, quantum chemical 1H NMR shift calculationFrank-Gerrit Klärner, Björn Kahlert, Anke Nellesen, et al.Journal of Chemical Theory and Computation|October 18, 2017
C-H···O Hydrogen Bonding. The Prototypical Methane-Formaldehyde System: A Critical AssessmentKevin B Moore, Keyarash Sadeghian, C David Sherrill, et al.Pageof 27