Investigation of surface energies in spin crossover nanomaterials: the role of surface relaxations

JOURNAL ARTICLE published 2017 in Physical Chemistry Chemical Physics

Research funded by Agence Nationale de la Recherche (ANR-13-BS07-0020-01)

Authors: Mirko Mikolasek | William Nicolazzi | Férial Terki | Gábor Molnár | Azzedine Bousseksou

Modulating the electronic structure of lanthanum manganite by ruthenium doping for enhanced photocatalytic water oxidation

JOURNAL ARTICLE published 2017 in Physical Chemistry Chemical Physics

Authors: Anindya Sundar Patra | Gaurangi Gogoi | Ranjan Kumar Sahu | Mohammad Qureshi

Correction: Identifying the optimal anticancer targets from the landscape of a cancer–immunity interaction network

JOURNAL ARTICLE published 2017 in Physical Chemistry Chemical Physics

Authors: Chunhe Li

Charge transfer quantification in a SnO_x/CuPc semiconductor heterostructure: investigation of buried interface energy structure by photoelectron spectroscopies

JOURNAL ARTICLE published 2017 in Physical Chemistry Chemical Physics

Authors: Maciej Krzywiecki | Lucyna Grządziel | Adnan Sarfraz | Andreas Erbe

Statistical modelling and simulation of nanohybrid shish-kebab architecture of PE-b-PEG copolymers and carbon nanotubes

JOURNAL ARTICLE published 2017 in Physical Chemistry Chemical Physics

Authors: Tuan Le | Nina Collazos | Austin Simoneaux | Siva Murru | Dilip Depan | Ramalingam Subramaniam

Can Kohn–Sham density functional theory predict accurate charge distributions for both single-reference and multi-reference molecules?

JOURNAL ARTICLE published 2017 in Physical Chemistry Chemical Physics

Authors: Pragya Verma | Donald G. Truhlar

Inside-outside self-assembly of light-activated fast-release liposomes

JOURNAL ARTICLE published 2015 in Physical Chemistry Chemical Physics

Research funded by Office of Extramural Research, National Institutes of Health (R01 EB012637)

Authors: Natalie Forbes | Jeong Eun Shin | Maria Ogunyankin | Joseph A. Zasadzinski

The effect of an oligonucleotide on the structure of cationic DODAB vesicles

JOURNAL ARTICLE published 2015 in Physical Chemistry Chemical Physics

Research funded by São Paulo Research Foundation (2011/13079-9)

Authors: Julio H. K. Rozenfeld | Evandro L. Duarte | Leandro R. S. Barbosa | M. Teresa Lamy

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JOURNAL ARTICLE published 2015 in Physical Chemistry Chemical Physics

Accurate calculation of³¹P NMR chemical shifts in polyoxometalates

JOURNAL ARTICLE published 2015 in Physical Chemistry Chemical Physics

Research funded by Agència de Gestió d’Ajuts Universitaris i de Recerca (2014SGR199) | European Science Foundation (COST action CM1303) | Ministerio de Educación, Cultura y Deporte (CTQ2011-29054)

Authors: Magda Pascual-Borràs | Xavier López | Josep M. Poblet

Rate coefficients for the reaction of OH radicals with cis-3-hexene: an experimental and theoretical study

JOURNAL ARTICLE published 2015 in Physical Chemistry Chemical Physics

Authors: Thaís da Silva Barbosa | Silvina Peirone | Javier A. Barrera | Juan P. A. Abrate | Silvia I. Lane | Graciela Arbilla | Glauco Favilla Bauerfeldt

The ratio and topology effects of benzodithiophene donor–benzooxadiazole acceptor fragments on the optoelectronic properties of donor molecules toward solar cell materials

JOURNAL ARTICLE published 2015 in Physical Chemistry Chemical Physics

Authors: Shamsa Bibi | Jingping Zhang

Bipolar resistive switching with negative differential resistance effect in a Cu/BaTiO₃/Ag device

JOURNAL ARTICLE published 2017 in Physical Chemistry Chemical Physics

Authors: L. J. Wei | Y. Yuan | J. Wang | H. Q. Tu | Y. Gao | B. You | J. Du

Tunnelling and barrier-less motions in the 2-fluoroethanol–water complex: a rotational spectroscopic and ab initio study

JOURNAL ARTICLE published 2017 in Physical Chemistry Chemical Physics

Authors: Wenyuan Huang | Javix Thomas | Wolfgang Jäger | Yunjie Xu

Comment on “Concentration fluctuations and nonlinear nonequilibrium thermodynamics’' by K. Ishida, Phys. Chem. Chem. Phys., 2000, 2, 4165

JOURNAL ARTICLE published 2001 in Physical Chemistry Chemical Physics

Authors: John Ross | Marcel Ovidiu Vlad

Photoinduced charge separation of N,N,N′,N′-tetramethyl- p-phenylenediamine and N,N,N′,N′-tetramethylbenzidine in synthetic M-mordenite (M = H+, Na+, Na++K+) molecular sieves

JOURNAL ARTICLE published 21 December 2001 in Physical Chemistry Chemical Physics

Authors: Jae Young Bae | Koodali T. Ranjit | Hosun Choo | Larry Kevan

Comparative kinetic study of Cd diffusion into Au(100) and Ag(100) during electrodeposition

JOURNAL ARTICLE published 2001 in Physical Chemistry Chemical Physics

Authors: Ruxandra Vidu | Nobumitsu Hirai | Shigeta Hara

Scanning tunneling microscopy investigations of ruthenium- and osmium-modified Pt(100) and Pt(110) single crystal substrates

JOURNAL ARTICLE published 2001 in Physical Chemistry Chemical Physics

Authors: Alechia Crown | Andrzej Wieckowski

Aurophilic attraction in binuclear complexes with Au(i) and Au(iii). A theoretical study

JOURNAL ARTICLE published 2004 in Phys. Chem. Chem. Phys.

Authors: Fernando Mendizabal | Pekka Pyykkö

Theoretical study on the coplanar double-cage dodecahedrane C35H30

JOURNAL ARTICLE published 2004 in Physical Chemistry Chemical Physics

Authors: Feng-Ling Liu