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

Spontaneous NaCl-doped ice at seawater conditions: focus on the mechanisms of ion inclusion

JOURNAL ARTICLE published 2017 in Physical Chemistry Chemical Physics

Authors: M. M. Conde | M. Rovere | P. Gallo

Exploring chemistry with the fragment molecular orbital method

JOURNAL ARTICLE published 2012 in Physical Chemistry Chemical Physics

Authors: Dmitri G. Fedorov | Takeshi Nagata | Kazuo Kitaura

Exotic hexagonal NaCl atom-thin layer on methylammonium lead iodide perovskite: new hints for perovskite solar cells from first-principles calculations

JOURNAL ARTICLE published 2024 in Physical Chemistry Chemical Physics

Authors: Adriana Pecoraro | Ana B. Muñoz-García | Gennaro V. Sannino | Paola Delli Veneri | Michele Pavone

Sequence-selective recognition of cationic amphipathic tripeptides with similar structures in aqueous solutions by cucurbit[7]uril

JOURNAL ARTICLE published 2021 in Physical Chemistry Chemical Physics

Research funded by National Natural Science Foundation of China (21803007,21473010,91544223)

Authors: Fenfen Ma | Xiaoyan Zheng | Zesheng Li

DNA-base radicals. Their base pairing abilities as calculated by DFTElectronic supplementary information (ESI) available: Single-point energies, zero-point energies and BSSE corrections for guanine, 7,8-dihydro-8-oxoguanine, their radicals and base pairs. See http://www.rsc.org/suppdata/cp/b2/b204842f/

JOURNAL ARTICLE published 17 October 2002 in Physical Chemistry Chemical Physics

Authors: J??hannes Reynisson | Steen Steenken

Prototropic equilibria in DNA containing one-electron oxidized GC: intra-duplex vs. duplex to solvent deprotonation

JOURNAL ARTICLE published 2010 in Physical Chemistry Chemical Physics

Authors: Amitava Adhikary | Anil Kumar | Shawn A. Munafo | Deepti Khanduri | Michael D. Sevilla

The reduction potential of the slipped GC base pair in one-electron oxidized duplex DNA

JOURNAL ARTICLE published 2020 in Physical Chemistry Chemical Physics

Research funded by Health Research Council of New Zealand (07/243)

Authors: Robert F. Anderson | Sujata S. Shinde | Andrej Maroz | Jóhannes Reynisson

Direct experimental observation of mesoscopic fluorous domains in fluorinated room temperature ionic liquids

JOURNAL ARTICLE published 2017 in Physical Chemistry Chemical Physics

Research funded by Japan Society for the Promotion of Science (JP22685015 and JP25288041.) | Argonne National Laboratory, Office of Science (DE-AC02-06CH11357)

Authors: F. Lo Celso | Y. Yoshida | F. Castiglione | M. Ferro | A. Mele | C. J. Jafta | A. Triolo | O. Russina

Nitrogen electroreduction and hydrogen evolution on cubic molybdenum carbide: a density functional study

JOURNAL ARTICLE published 2018 in Physical Chemistry Chemical Physics

Research funded by Advanced Research Projects Agency - Energy (DE-AR 1261-4005)

Authors: Ivana Matanovic | Fernando H. Garzon

Random walk numerical simulation for hopping transport at finite carrier concentrations: diffusion coefficient and transport energy concept

JOURNAL ARTICLE published 2009 in Physical Chemistry Chemical Physics

Authors: J. P. Gonzalez-Vazquez | Juan A. Anta | Juan Bisquert

Metal–organic frameworks for photocatalysis

JOURNAL ARTICLE published 2016 in Physical Chemistry Chemical Physics

Authors: Ying Li | Hua Xu | Shuxin Ouyang | Jinhua Ye

Effects of temperature and gas–liquid mass transfer on the operation of small electrochemical cells for the quantitative evaluation of CO₂reduction electrocatalysts

JOURNAL ARTICLE published 2016 in Physical Chemistry Chemical Physics

Research funded by California Energy Commission (500-11-023) | Basic Energy Sciences (DE-SC0004993)

Authors: Peter Lobaccaro | Meenesh R. Singh | Ezra Lee Clark | Youngkook Kwon | Alexis T. Bell | Joel W. Ager

Pressure effects on both fluorescent emission and charge transport properties of organic semiconductors: a computational study

JOURNAL ARTICLE published 2024 in Physical Chemistry Chemical Physics

Research funded by National Natural Science Foundation of China (22173006,21803007) | Natural Science Foundation of Beijing Municipality (2222027) | South China University of Technology (2019B030301003)

Authors: Yi Zeng | Wen Shi | Qian Peng | Yingli Niu | Zhiying Ma | Xiaoyan Zheng

Simultaneous detection of electronic structure changes from two elements of a bifunctional catalyst using wavelength-dispersive X-ray emission spectroscopy and in situ electrochemistry

JOURNAL ARTICLE published 2015 in Physical Chemistry Chemical Physics

Research funded by Office of Science (DE-SC0004993) | National Institute of General Medical Sciences (P41GM103393,R01GM110501) | National Center for Research Resources (P41RR001209) | Basic Energy Sciences (DE-AC02-05CH11231,DE-SC0001060)

Authors: Sheraz Gul | Jia Wei Desmond Ng | Roberto Alonso-Mori | Jan Kern | Dimosthenis Sokaras | Eitan Anzenberg | Benedikt Lassalle-Kaiser | Yelena Gorlin | Tsu-Chien Weng | Petrus H. Zwart | Jin Z. Zhang | Uwe Bergmann | Vittal K. Yachandra | Thomas F. Jaramillo | Junko Yano

The anisotropy of the internal magnetic field on the central ion is capable of imposing great impact on the quantum tunneling of magnetization of Kramers single-ion magnets

JOURNAL ARTICLE published 2021 in Physical Chemistry Chemical Physics

Research funded by Natural Science Foundation of Shaanxi Province (2016JQ2038) | Northwest University (338050094,350020011,360041900065) | National Natural Science Foundation of China (21103137)

Authors: Bing Yin | Lan Luo

SERS characterization of dopamine and in situ dopamine polymerization on silver nanoparticles

JOURNAL ARTICLE published 2021 in Physical Chemistry Chemical Physics

Research funded by Consejo Nacional de Ciencia y Tecnología (599497,Movilidad-CONACYT-2018,CONACYT 2014-Fronteras de la Ciencia-2016)

Authors: Isidro Badillo-Ramírez | José M. Saniger | Jürgen Popp | Dana Cialla-May

Comment on “A universal approach for calculating the Judd–Ofelt parameters of RE³⁺ in powdered phosphors and its application for the β-NaYF4:Er³⁺/Yb³⁺ phosphor derived from auto-combustion-assisted fluoridation” by B. Chen, S. Xu et al., Phys. Chem. Chem. Phys., 2018, 20, 15876

JOURNAL ARTICLE published 2019 in Physical Chemistry Chemical Physics

Authors: Qing Xu | Yun Zhang | De-Long Zhang

Design of equidistant and revert type precipitation patterns in reaction–diffusion systems

JOURNAL ARTICLE published 2008 in Physical Chemistry Chemical Physics

Authors: Ferenc Molnár Jr | Ferenc Izsák | István Lagzi

ortho-Hydroxylation of aromatic acids by a non-heme Fe^VO species: how important is the ligand design?

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

Authors: Azaj Ansari | Gopalan Rajaraman