Aqueous sodium hydroxide (NaOH) solutions at high pressure and temperature: insights fromin situRaman spectroscopy andab initiomolecular dynamics simulations

JOURNAL ARTICLE published 2018 in Physical Chemistry Chemical Physics

Authors: Johannes Stefanski | Christian Schmidt | Sandro Jahn

An accurate full-dimensional H₄O potential energy surface and dynamics of an exchange reaction

JOURNAL ARTICLE published 2022 in Physical Chemistry Chemical Physics

Research funded by Venture and Innovation Support Program for Chongqing Overseas Returnees (cx2021071) | National Natural Science Foundation of China (21973009)

Authors: Jia Li | Yang Liu | Hua Guo | Jun Li

Incorporation of Zn²⁺ ions into BaTiO₃:Er³⁺/Yb³⁺ nanophosphor: an effective way to enhance upconversion, defect luminescence and temperature sensing

JOURNAL ARTICLE published 2015 in Physical Chemistry Chemical Physics

Authors: Manoj Kumar Mahata | Tristan Koppe | Tanusree Mondal | Christoph Brüsewitz | Kaushal Kumar | Vineet Kumar Rai | Hans Hofsäss | Ulrich Vetter

Dynamic water bridging and proton transfer at a surface carboxylate cluster of photosystem II

JOURNAL ARTICLE published 2019 in Physical Chemistry Chemical Physics

Research funded by Deutsche Forschungsgemeinschaft (SFB 1078 Project A5,SFB 1078 Project C4)

Authors: Lukas Kemmler | Mohamed Ibrahim | Holger Dobbek | Athina Zouni | Ana-Nicoleta Bondar

Variability in X-ray induced effects in [Rh(COD)Cl]₂ with changing experimental parameters

JOURNAL ARTICLE published 2022 in Physical Chemistry Chemical Physics

Research funded by Engineering and Physical Sciences Research Council (EP/L015277/1) | Diamond Light Source (CY23209)

Authors: Nathalie K. Fernando | Hanna L. B. Boström | Claire A. Murray | Robin L. Owen | Amber L. Thompson | Joshua L. Dickerson | Elspeth F. Garman | Andrew B. Cairns | Anna Regoutz

Simultaneous NMR characterisation of multiple minima in the free energy landscape of an RNA UUCG tetraloop

JOURNAL ARTICLE published 2017 in Physical Chemistry Chemical Physics

Authors: Aditi N. Borkar | Pramodh Vallurupalli | Carlo Camilloni | Lewis E. Kay | Michele Vendruscolo

The evolution of paramagnetic NMR as a tool in structural biology

JOURNAL ARTICLE published 2022 in Physical Chemistry Chemical Physics

Authors: Enrico Ravera | Lucia Gigli | Letizia Fiorucci | Claudio Luchinat | Giacomo Parigi

Strategic emission color tuning of highly fluorescent imidazole-based excited-state intramolecular proton transfer molecules

JOURNAL ARTICLE published 2012 in Physical Chemistry Chemical Physics

Authors: Sanghyuk Park | Ji Eon Kwon | Soo Young Park

Polymer models for the mechanisms of chromatin 3D folding: review and perspective

JOURNAL ARTICLE published 2020 in Physical Chemistry Chemical Physics

Research funded by National Natural Science Foundation of China (21233002,21573006,91427304) | National Basic Research Program of China (2017YFA0204702)

Authors: Rui Zhou | Yi Qin Gao

Benchmark database on isolated small peptides containing an aromatic side chain: comparison between wave function and density functional theory methods and empirical force field

JOURNAL ARTICLE published 2008 in Physical Chemistry Chemical Physics

Authors: Haydee Valdes | Kristýna Pluháčková | Michal Pitonák | Jan Řezáč | Pavel Hobza

Cross-conjugation and quantum interference: a general correlation?

JOURNAL ARTICLE published 2014 in Phys. Chem. Chem. Phys.

Authors: Hennie Valkenier | Constant M. Guédon | Troels Markussen | Kristian S. Thygesen | Sense J. van der Molen | Jan C. Hummelen

Pressure-dependent kinetics of the o-xylene reaction with OH radicals

JOURNAL ARTICLE published 2022 in Physical Chemistry Chemical Physics

Research funded by National Natural Science Foundation of China (91641127,91741104,91841301,21973053)

Authors: Yan Li | Xuan Guo | Rui Ming Zhang | Hui Zhang | Xin Zhang | Xuefei Xu

Structural, magnetic, and magnetocaloric properties of the multiferroic host double perovskite compound Pr₂FeCrO₆

JOURNAL ARTICLE published 2021 in Physical Chemistry Chemical Physics

Authors: Dipak Mazumdar | I. Das

Study of persistent luminescence and thermoluminescence in SrSi₂N₂O₂:Eu²⁺,M³⁺(M = Ce, Dy, and Nd)

JOURNAL ARTICLE published 2020 in Physical Chemistry Chemical Physics

Authors: Natalia Majewska | Tadeusz Leśniewski | Sebastian Mahlik | Marek Grinberg | Alicja Chruścińska | Daniel Michalik | Małgorzata Sopicka-Lizer

Reactions of nitric oxide on Rh6+ clusters: abundant chemistry and evidence of structural isomers

JOURNAL ARTICLE published 2005 in Physical Chemistry Chemical Physics

Authors: M. S. Ford | M. L. Anderson | M. P. Barrow | D. P. Woodruff | T. Drewello | P. J. Derrick | S. R. Mackenzie

Probing proton dissociation in ionic polymers by means of in situ ATR-FTIR spectroscopy

JOURNAL ARTICLE published 2008 in Physical Chemistry Chemical Physics

Authors: Lidwine Grosmaire | Samuel Castagnoni | Patrice Huguet | Philippe Sistat | Mario Boucher | Patrick Bouchard | Philippe Bébin | Stefano Deabate

Synthesis and optical properties of novel blue fluorescent conjugated polymers

JOURNAL ARTICLE published 1999 in Physical Chemistry Chemical Physics

Authors: Martin Baumgarten | Timucin Yüksel

Rational design of phenoxazine-based donor–acceptor–donor thermally activated delayed fluorescent molecules with high performance

JOURNAL ARTICLE published 2015 in Physical Chemistry Chemical Physics

Authors: Jing Lu | Yiying Zheng | Jingping Zhang

Nanoparticle translocation through a lipid bilayer tuned by surface chemistry

JOURNAL ARTICLE published 2013 in Phys. Chem. Chem. Phys.

Authors: Edroaldo Lummertz da Rocha | Giovanni Finoto Caramori | Carlos Renato Rambo

Probing segmental order in lipid bilayers at variable hydration levels by amplitude- and phase-modulated cross-polarization NMR

JOURNAL ARTICLE published 2005 in Physical Chemistry Chemical Physics

Authors: Sergey V. Dvinskikh | Vasco Castro | Dick Sandström