Pyrolysis of organotin compounds: A preparative method for nanometric tin dioxide powders

JOURNAL ARTICLE published 6 September 2002 in Physical Chemistry Chemical Physics

Authors: A. G. Pereira | A. O. Porto | G. G. Silva | G. M. de Lima | H. G. L. Siebald | J. L. Neto

Dynamics of interacting magnetic nanoparticles: effective behavior from competition between Brownian and Néel relaxation

JOURNAL ARTICLE published 2020 in Physical Chemistry Chemical Physics

Research funded by Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung (200021L_185052)

Authors: Patrick Ilg | Martin Kröger

First-principles determination of the crystallography of the low-temperature phase for NbRu and TaRu shape memory alloys

JOURNAL ARTICLE published 2022 in Physical Chemistry Chemical Physics

Research funded by Basic and Applied Basic Research Foundation of Guangdong Province (2019A1515110554,2020A1515110595,2020A1515110053,2021A1515111076)

Authors: Wenzhou Chen | Ronghua Yuan | Furui Tan | Weina Xu

Towards hybrid quantum mechanical/molecular mechanical simulations of Li and Na intercalation in graphite – force field development and DFTB parametrisation

JOURNAL ARTICLE published 2024 in Physical Chemistry Chemical Physics

Authors: Felix R. S. Purtscher | Thomas S. Hofer

Experimental and theoretical study of multinuclear indium–oxo clusters in CHA zeolite for CH₄ activation at room temperature

JOURNAL ARTICLE published 2019 in Physical Chemistry Chemical Physics

Research funded by Precursory Research for Embryonic Science and Technology (JPMJPR16S8) | Core Research for Evolutional Science and Technology (JPMJCR15P4,JPMJCR17J3) | Japan Society for the Promotion of Science (17H01341,18K14051,18K14057)

Authors: Zen Maeno | Shunsaku Yasumura | Chong Liu | Takashi Toyao | Kenichi Kon | Akira Nakayama | Jun-ya Hasegawa | Ken-ichi Shimizu

Size-dependent pressure-induced amorphization: a thermodynamic panorama

JOURNAL ARTICLE published 2015 in Physical Chemistry Chemical Physics

Authors: Denis Machon | Patrice Mélinon

Electron correlation effects on structural and cohesive properties of closo-hydroborate dianions (BnHn)2- (n = 5–12) and B4H4

JOURNAL ARTICLE published 2001 in Physical Chemistry Chemical Physics

Authors: Simon Kalvoda | Beate Paulus | Michael Dolg | Hermann Stoll | Hans-Joachim Werner

Direct synthesis of platelet graphitic-nanofibres as a highly porous counter-electrode in dye-sensitized solar cells

JOURNAL ARTICLE published 2012 in Physical Chemistry Chemical Physics

Authors: Chien-Kuo Hsieh | Ming-Chi Tsai | Ming-Yu Yen | Ching-Yuan Su | Kuei-Fu Chen | Chen-Chi M. Ma | Fu-Rong Chen | Chuen-Horng Tsai

Au–Ag nanoalloy molecule-like clusters for enhanced quantum efficiency emission of Er³⁺ions in silica

JOURNAL ARTICLE published 2015 in Physical Chemistry Chemical Physics

Authors: Tiziana Cesca | Boris Kalinic | Niccolò Michieli | Chiara Maurizio | Angela Trapananti | Carlo Scian | Giancarlo Battaglin | Paolo Mazzoldi | Giovanni Mattei

Unveiling the intrinsic role of water in the catalytic cycle of formaldehyde oxidation: a comprehensive study integrating density functional theory and microkinetic analysis

JOURNAL ARTICLE published 2023 in Physical Chemistry Chemical Physics

Research funded by National Natural Science Foundation of China (No. 22176041) | National Key Research and Development Program of China (2022YFC3901800) | Guangzhou Municipal Science and Technology Project (2023A04J0918) | China Postdoctoral Science Foundation (2023M730289)

Authors: Qianyu Li | Wenlang Li | Jiachun Cao | Junhui Zhou | Didi Li | Zhimin Ao

Zipf's law for pore ranking and pore anisotropy

JOURNAL ARTICLE published 2017 in Physical Chemistry Chemical Physics

Authors: Philippos Pomonis | Antigoni Margellou

Identification and exclusion of intermediates of photocatalytic CO₂ reduction on TiO₂ under conditions of highest purity

JOURNAL ARTICLE published 2016 in Physical Chemistry Chemical Physics

Research funded by Bundesministerium für Bildung und Forschung (033RC1007A (PhotoKat))

Authors: Anna Pougin | Martin Dilla | Jennifer Strunk

The interface between Au(100) and 1-butyl-3-methyl-imidazolium-hexafluorophosphate

JOURNAL ARTICLE published 2011 in Physical Chemistry Chemical Physics

Authors: M. Gnahm | C. Müller | R. Répánszki | T. Pajkossy | D. M. Kolb

Phase diagram and structural evolution of Ag–Au bimetallic nanoparticles: molecular dynamics simulations

JOURNAL ARTICLE published 2012 in Physical Chemistry Chemical Physics

Authors: Sang Chul Yeo | Da Hye Kim | Kihyun Shin | Hyuck Mo Lee

Misfit stabilized embedded nanoparticles in metallic alloys

JOURNAL ARTICLE published 2015 in Physical Chemistry Chemical Physics

Research funded by European Research Council (338957 FEMTO/NANO)

Authors: Yu. N. Gornostyrev | M. I. Katsnelson

Planarity and out-of-plane vibrational modes of tryptophan and tyrosine in biomolecular modeling

JOURNAL ARTICLE published 2019 in Physical Chemistry Chemical Physics

Authors: Faramarz Joodaki | Lenore M. Martin | Michael L. Greenfield

Unusual thermo-mechanical properties of the Janus Mo₂ScC₂OH MXene monolayer

JOURNAL ARTICLE published 2023 in Physical Chemistry Chemical Physics

Authors: Emre Bölen | Engin Deligöz

Stacking engineering in layered homostructures: transitioning from 2D to 3D architectures

JOURNAL ARTICLE published 2024 in Physical Chemistry Chemical Physics

Research funded by National Key Research and Development Program of China (2021YFA1600204) | National Natural Science Foundation of China (12074372,12074385,22371127,11904003)

Authors: Jiamin Wang | Fang Cheng | Yan Sun | Hai Xu | Liang Cao

Contracted all-electron Gaussian basis sets for atoms Rb to Xe

JOURNAL ARTICLE published 2000 in Physical Chemistry Chemical Physics

Authors: Reinhart Ahlrichs | Klaus May

The importance of current contributions to shielding constants in density-functional theory

JOURNAL ARTICLE published 2015 in Physical Chemistry Chemical Physics

Authors: Sarah Reimann | Ulf Ekström | Stella Stopkowicz | Andrew M. Teale | Alex Borgoo | Trygve Helgaker