Singlet (¹Δ_g) O₂as an efficient tropospheric oxidizing agent: the gas phase reaction with the simplest Criegee intermediate

JOURNAL ARTICLE published 2020 in Physical Chemistry Chemical Physics

Research funded by Science and Engineering Research Board (ECR/2016/000280)

Authors: Saptarshi Sarkar | Biman Bandyopadhyay

Hydrogen bond cooperativity and anticooperativity within the water hexamer

JOURNAL ARTICLE published 2016 in Physical Chemistry Chemical Physics

Authors: José Manuel Guevara-Vela | Eduardo Romero-Montalvo | Víctor Arturo Mora Gómez | Rodrigo Chávez-Calvillo | Marco García-Revilla | Evelio Francisco | Ángel Martín Pendás | Tomás Rocha-Rinza

Dynamic nuclear polarization-enhanced solid-state NMR spectroscopy of GNNQQNY nanocrystals and amyloid fibrils

JOURNAL ARTICLE published 2010 in Physical Chemistry Chemical Physics

Authors: Galia T. Debelouchina | Marvin J. Bayro | Patrick C. A. van der Wel | Marc A. Caporini | Alexander B. Barnes | Melanie Rosay | Werner E. Maas | Robert G. Griffin

Molecular electronic structure in one-dimensional Coulomb systems

JOURNAL ARTICLE published 2017 in Physical Chemistry Chemical Physics

Research funded by Australian Research Council (DE130101441,DP140104071,DP160100246)

Authors: Caleb J. Ball | Pierre-François Loos | Peter M. W. Gill

Infrared and volumetric study of NO adsorption on Pd-H-ZSM-5

JOURNAL ARTICLE published 2001 in Physical Chemistry Chemical Physics

Authors: Bernard Pommier | Patrick Gelin

Detailed balance in multiple-well chemical reactions

JOURNAL ARTICLE published 2009 in Physical Chemistry Chemical Physics

Authors: James A. Miller | Stephen J. Klippenstein | Struan H. Robertson | Michael J. Pilling | Nicholas J. B. Green

Catalyst and electrolyte synergy in Li–O2 batteries

JOURNAL ARTICLE published 2014 in Physical Chemistry Chemical Physics

Authors: Forrest S. Gittleson | Ryan C. Sekol | Gustavo Doubek | Marcelo Linardi | André D. Taylor

Master equation methods for multiple well systems: application to the 1-,2-pentyl system

JOURNAL ARTICLE published 2007 in Physical Chemistry Chemical Physics

Authors: Struan H. Robertson | Michael J. Pilling | Luminita C. Jitariu | Ian H. Hillier

Analysis of reduced paramagnetic shifts as an effective tool in NMR spectroscopy

JOURNAL ARTICLE published 2022 in Physical Chemistry Chemical Physics

Research funded by Russian Science Foundation (20-73-00194) | Council on grants of the President of the Russian Federation (MD-1935.2020.3)

Authors: Alexander A. Pavlov | Valentin V. Novikov | Igor A. Nikovskiy | Elizaveta K. Melnikova | Yulia V. Nelyubina | Dmitry Y. Aleshin

Combining experiment and energy landscapes to explore anaerobic heme breakdown in multifunctional hemoproteins

JOURNAL ARTICLE published 2024 in Physical Chemistry Chemical Physics

Authors: Alasdair D. Keith | Elizabeth B. Sawyer | Desmond C. Y. Choy | Yuhang Xie | George S. Biggs | Oskar James Klein | Paul D. Brear | David J. Wales | Paul D. Barker

Unravelling the effect of sulfur vacancies on the electronic structure of the MoS₂ crystal

JOURNAL ARTICLE published 2020 in Physical Chemistry Chemical Physics

Research funded by National Natural Science Foundation of China (51572155,51932004,61975098) | National Basic Research Program of China (2016YFB1102201)

Authors: Xixia Zhang | Shanpeng Wang | Chao-Kuei Lee | Cheng-Maw Cheng | Jia-Chi Lan | Xinru Li | Jie Qiao | Xutang Tao

Computational prediction of a novel 1D InSeI nanochain with high stability and promising wide-bandgap properties

JOURNAL ARTICLE published 2020 in Physical Chemistry Chemical Physics

Research funded by National Natural Science Foundation of China (21603056,21604049) | National Basic Research Program of China (2018YFB2202800) | Natural Science Foundation of Henan Province (202300410069) | China Postdoctoral Science Foundation (2020TQ0089,2020M682274) | Research Grants Council, University Grants Committee (PolyU 152190/18E)

Authors: Shujuan Jiang | Huabing Yin | Guang-Ping Zheng | Bing Wang | Shan Guan | Bing-Jian Yao

Temperature and pressure-induced strains in anhydrous iron trifluoride polymorphs

JOURNAL ARTICLE published 2021 in Physical Chemistry Chemical Physics

Research funded by Gobierno del Principado de Asturias (FC-GRUPIN-IDI/2018/000177) | Ministerio de Ciencia, Innovación y Universidades (PGC2018-097520-A-100,PGC2018-094814-B-C2,RED2018-102612-T,RyC-2016-20301) | Universidad Complutense de Madrid (FEI17/29)

Authors: M. Recio-Poo | A. Lobato | A. Otero-de-la-Roza | M. A. Salvadó | M. E. Arroyo-de Dompablo | J. M. Recio

Controlling the off-center positions of anions through thermodynamics and kinetics in flexible perovskite-like materials

JOURNAL ARTICLE published 2021 in Physical Chemistry Chemical Physics

Research funded by Fundación para el Fomento en Asturias de la Investigación Científica Aplicada y la Tecnología (FC-GRUPIN-IDI/2018/000177) | Ministerio de Economía y Competitividad (PGC2018-094814-B-C2,PGC2018-097520-A-100,RyC- 2016-20301,RED2018-102612-T)

Authors: A. Lobato | M. Recio-Poo | A. Otero-de-la-Roza | M. A. Salvadó | J. M. Recio

Transport coefficients from Einstein–Helfand relations using standard and energy-conserving dissipative particle dynamics methods

JOURNAL ARTICLE published 2023 in Physical Chemistry Chemical Physics

Research funded by Army Research Office (W911NF-20-2-0203,W911NF-20-2-0227) | Agencia Estatal de Investigación (PID2021-122187NB-C33)

Authors: D. C. Malaspina | M. Lísal | J. P. Larentzos | J. K. Brennan | A. D. Mackie | J. Bonet Avalos

On the proton conductivity in pure and gadolinium doped nanocrystalline cerium oxide

JOURNAL ARTICLE published 2011 in Phys. Chem. Chem. Phys.

Authors: Mona Shirpour | Giuliano Gregori | Rotraut Merkle | Joachim Maier

A femtosecond mid-infrared study of the dynamics of water in aqueous sugar solutions

JOURNAL ARTICLE published 2015 in Physical Chemistry Chemical Physics

Authors: C. C. M. Groot | H. J. Bakker

Micro-Raman spectroscopic analysis of liquid–liquid phase separation

JOURNAL ARTICLE published 2023 in Physical Chemistry Chemical Physics

Research funded by Institute for Basic Science (IBS-R023-D1) | National Research Foundation of Korea (NRF-2020R1A2C2010675,NRF-2020R1A5A1019141)

Authors: Suin Choi | So Yeon Chun | Kyungwon Kwak | Minhaeng Cho

The effects of alloying and segregation for the reactivity and diffusion of oxygen on Cu₃Au(111)

JOURNAL ARTICLE published 12 August 2014 in Physical Chemistry Chemical Physics

Authors: Kohei Oka | Yasutaka Tsuda | Takamasa Makino | Michio Okada | M. Hashinokuchi | Akitaka Yoshigoe | Yuden Teraoka | Hideaki Kasai

Fluorescence from an H-aggregated naphthalenediimide based peptide: photophysical and computational investigation of this rare phenomenon

JOURNAL ARTICLE published 2015 in Physical Chemistry Chemical Physics

Authors: Shibaji Basak | Nibedita Nandi | Kalishankar Bhattacharyya | Ayan Datta | Arindam Banerjee