Observation of the dynamics of clusters in d-glucose with the use of dielectric spectroscopy

JOURNAL ARTICLE published 2010 in Phys. Chem. Chem. Phys.

Authors: K. Kaminski | E. Kaminska | K. Adrjanowicz | Z. Wojnarowska | P. Wlodarczyk | K. Grzybowska | M. Dulski | R. Wrzalik | M. Paluch

Ab initio calculations for the Zn 2s and 2p core level binding energies in Zn oxo compounds and ZnO

JOURNAL ARTICLE published 2006 in Phys. Chem. Chem. Phys.

Authors: Norbert Rössler | Konstantinos Kotsis | Volker Staemmler

Electronic structure and magnetic properties of the triangular nanographenes with radical substituents: a DFT study

JOURNAL ARTICLE published 2020 in Physical Chemistry Chemical Physics

Research funded by Ministry of Education and Science of the Russian Federation (14.Y26.31.0016)

Authors: Vladimir I. Minkin | Andrey G. Starikov | Alyona A. Starikova | Olga A. Gapurenko | Ruslan M. Minyaev | Alexander I. Boldyrev

Theoretical investigation of amino-acid adsorption on hydroxylated quartz surfaces: dispersion can determine enantioselectivity

JOURNAL ARTICLE published 2020 in Physical Chemistry Chemical Physics

Authors: Alastair J. Price | Erin R. Johnson

Reversible electrowetting transitions on superhydrophobic surfaces

JOURNAL ARTICLE published 2021 in Physical Chemistry Chemical Physics

Research funded by National Science Foundation (CHE-1800120)

Authors: D. Vanzo | A. Luzar | D. Bratko

Insights from theory and simulation on the electrical double layer

JOURNAL ARTICLE published 2009 in Physical Chemistry Chemical Physics

Authors: Douglas Henderson | Dezső Boda

Na⁺-binding modes involved in thrombin's allosteric response as revealed by molecular dynamics simulations, correlation networks and Markov modeling

JOURNAL ARTICLE published 2019 in Physical Chemistry Chemical Physics

Research funded by National Cancer Institute (P30CA012197)

Authors: Jiajie Xiao | Freddie R. Salsbury

Sensitivity enhancement and low-field spin relaxation in singlet NMR

JOURNAL ARTICLE published 2012 in Physical Chemistry Chemical Physics

Authors: Jiri Bocan | Giuseppe Pileio | Malcolm H. Levitt

Hydrogen storage in bimetallic Ti–Al sub-nanoclusters supported on graphene

JOURNAL ARTICLE published 2017 in Physical Chemistry Chemical Physics

Authors: C. M. Ramos-Castillo | J. U. Reveles | M. E. Cifuentes-Quintal | R. R. Zope | R. de Coss

Mesoporous semiconducting TiO₂ with rich active sites as a remarkable substrate for surface-enhanced Raman scattering

JOURNAL ARTICLE published 2017 in Physical Chemistry Chemical Physics

Research funded by National Natural Science Foundation of China (21327803,21411140235,21473078)

Authors: Libin Yang | Di Yin | Yu Shen | Ming Yang | Xiuling Li | Xiaoxia Han | Xin Jiang | Bing Zhao

Unimolecular decomposition pathways of negatively charged nitriles by ab initio molecular dynamics

JOURNAL ARTICLE published 2016 in Physical Chemistry Chemical Physics

Research funded by Deutsche Forschungsgemeinschaft (1927/10-1)

Authors: Vilhjálmur Ásgeirsson | Christoph A. Bauer | Stefan Grimme

Water interaction with B-site (B = Al, Zr, Nb, and W) doped SrFeO_3−δ-based perovskite surfaces for thermochemical water splitting applications

JOURNAL ARTICLE published 2022 in Physical Chemistry Chemical Physics

Research funded by National Natural Science Foundation of China (22172188,51674164,51874196) | Science and Technology Commission of Shanghai Municipality (19DZ2270200,20511107700,21DZ1208900)

Authors: Sha Chen | Hongwei Cheng | Yanbo Liu | Xiaolu Xiong | Qiangchao Sun | Qian Xu | Xionggang Lu | Shenggang Li

Interactions of CO₂with various functional molecules

JOURNAL ARTICLE published 2015 in Physical Chemistry Chemical Physics

Authors: Han Myoung Lee | Il Seung Youn | Muhammad Saleh | Jung Woo Lee | Kwang S. Kim

Unveiling the impact of Ni²⁺/Y³⁺ co-substitution on the structural, dielectric, and impedance properties of multiferroic spinel ferrite for hydroelectric cell application

JOURNAL ARTICLE published 2023 in Physical Chemistry Chemical Physics

Authors: Prachi Jain | S. Shankar | O. P. Thakur

Thermodynamics, kinetics and electronic properties of point defects in β-FeSi₂

JOURNAL ARTICLE published 2019 in Physical Chemistry Chemical Physics

Research funded by National Natural Science Foundation of China (11774365)

Authors: Jun Chai | Chen Ming | Xiaolong Du | Pengfei Qiu | Yi-Yang Sun | Lidong Chen

Analytic calculations of anharmonic infrared and Raman vibrational spectra

JOURNAL ARTICLE published 2016 in Physical Chemistry Chemical Physics

Research funded by European Research Council (ERC Starting Grant (Grant No. 279619)) | Norges Forskningsråd (Centre of Excellence Grant (Grant No. 179568/V30))

Authors: Yann Cornaton | Magnus Ringholm | Orian Louant | Kenneth Ruud

The role of alkali metal cations in the stabilization of guanine quadruplexes: why K⁺ is the best

JOURNAL ARTICLE published 2016 in Physical Chemistry Chemical Physics

Authors: F. Zaccaria | G. Paragi | C. Fonseca Guerra

Thieno[3,4-b]pyrazine-based oligothiophenes: simple models of donor–acceptor polymeric materials

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

Authors: Li Wen | Christopher L. Heth | Seth C. Rasmussen

Effect of the doping level on the biological stability of hydrogenated boron doped diamond electrodes

JOURNAL ARTICLE published 2011 in Physical Chemistry Chemical Physics

Authors: Raphaël Trouillon | Danny O'Hare | Yasuaki Einaga

Physicochemical characterization of nanoparticles and their behavior in the biological environment

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

Authors: L. Treuel | K. A. Eslahian | D. Docter | T. Lang | R. Zellner | K. Nienhaus | G. U. Nienhaus | R. H. Stauber | M. Maskos