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Journal of Chemical Theory and Computation|December 2, 2015
Explaining Asymmetric Solvation of Pt(II) versus Pd(II) in Aqueous Solution Revealed by Ab Initio Molecular Dynamics SimulationsElizabeth C Beret, José M Martínez, Rafael R Pappalardo, et al.Angewandte Chemie (International Ed. in English)|August 10, 2023
Quantum Nuclear Delocalization and its Rovibrational FingerprintsIrén Simkó, Christoph Schran, Fabien Brieuc, et al.Cureus|January 6, 2021
COVID-19 and Its Psychological Impacts on Healthcare Staff - A Multi-Centric Comparative Cross-Sectional StudyHafsa Shahid, Mobeen Z Haider, Muhammad Taqi, et al.Nature Chemistry|December 3, 2010
Quantum-induced symmetry breaking explains infrared spectra of CH(5)(+) isotopologuesSergei D Ivanov, Oskar Asvany, Alexander Witt, et al.Physical Chemistry Chemical Physics : PCCP|October 5, 2022
Nanoconfinement effects on water in narrow graphene-based slit pores as revealed by THz spectroscopySergi Ruiz-Barragan, Federico Sebastiani, Philipp Schienbein, et al.Journal of the American Chemical Society|February 24, 2012
Identifying residual structure in intrinsically disordered systems: a 2D IR spectroscopic study of the GVGXPGVG peptideJoshua Lessing, Santanu Roy, Mike Reppert, et al.Physical Review Letters|April 20, 2004
Folding and unfolding of an elastinlike oligopeptide: "inverse temperature transition," reentrance, and hydrogen-bond dynamicsEduard Schreiner, Chiara Nicolini, Björn Ludolph, et al.The Journal of Physical Chemistry. A|November 22, 2017
2D-IR Spectroscopy of an AHA Labeled Photoswitchable PDZ2 DomainBrigitte Stucki-Buchli, Philip J M Johnson, Olga Bozovic, et al.The Journal of Chemical Physics|April 17, 2016
Design principles for high-pressure force fields: Aqueous TMAO solutions from ambient to kilobar pressuresChristoph Hölzl, Patrick Kibies, Sho Imoto, et al.ACS Omega|October 9, 2023
Metallofullerenes as Robust Single-Atom Catalysts for Adsorption and Dissociation of Hydrogen Molecules: A Density Functional StudySehrish Sarfaraz, Muhammad Yar, Ajaz Hussain, et al.Pageof 23