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Physical Chemistry Chemical Physics : PCCP|October 13, 2020
Thermodynamics of cell penetrating peptides on lipid membranes: sequence and membrane acidity regulate surface bindingPedro G Ramírez, Mario G Del Pópolo, Jorge A Vila, et al.Physical Chemistry Chemical Physics : PCCP|October 7, 2020
Short range order and network connectivity in amorphous AsTe3: a first principles, machine learning, and XRD studyGaëlle Delaizir, Andrea Piarristeguy, Annie Pradel, et al.Physical Chemistry Chemical Physics : PCCP|October 7, 2020
First-principles investigation on the transport properties of quaternary CoFeRGa (R = Ti, V, Cr, Mn, Cu, and Nb) Heusler compoundsBeibei Shi, Jingyu Li, Chi Zhang, et al.Physical Chemistry Chemical Physics : PCCP|October 20, 2020
Modulation of the adsorption chemistry of a precursor in atomic layer deposition to enhance the growth per cycle of a TiO2 thin filmYeonchoo Cho, Sang Hyeon Kim, Byung Seok Kim, et al.Physical Chemistry Chemical Physics : PCCP|October 22, 2020
Diagonal Born-Oppenheimer corrections to the ground electronic state potential energy surfaces of ozone: improvement of ab initio vibrational band centers for the 16O3, 17O3 and 18O3 isotopologuesAttila Tajti, Péter G Szalay, Roman Kochanov, et al.Physical Chemistry Chemical Physics : PCCP|October 22, 2020
Tunable electronic properties of the dynamically stable layered mineral Pt2HgSe3 (Jacutingaite)Asadollah Bafekry, Catherine Stampfl, Chuong Nguyen, et al.Physical Chemistry Chemical Physics : PCCP|October 22, 2020
Transition metal carbon quadruple bond: viability through single electron transmutationAmlan J Kalita, Shahnaz S Rohman, Chayanika Kashyap, et al.Physical Chemistry Chemical Physics : PCCP|October 22, 2020
Quantum simulation of electronic structure with a transcorrelated Hamiltonian: improved accuracy with a smaller footprint on the quantum computerMario Motta, Tanvi P Gujarati, Julia E Rice, et al.Physical Chemistry Chemical Physics : PCCP|October 22, 2020
Defect structure and vibrational states in Eu-doped cubic gadolinium oxideAlexey N Kislov, Anatoly F ZatsepinPhysical Chemistry Chemical Physics : PCCP|October 15, 2020
Relating surface defect energetics with reactant gas adsorption during the photo-catalytic reduction of CO2 by partially hydrolyzed In2O3 nanorodsJoel Y Y Loh, Nazir P KheraniPageof 4,877