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Physical Chemistry Chemical Physics : PCCP|February 23, 2012
Multi-structural variational transition state theory: kinetics of the 1,5-hydrogen shift isomerization of the 1-butoxyl radical including all structures and torsional anharmonicityXuefei Xu, Ewa Papajak, Jingjing Zheng, et al.Physical Chemistry Chemical Physics : PCCP|February 23, 2012
Chemical asymmetry and α and β polarizabilities of D-A-D' chromophores: a three-state-model and TDDFT-SOS analysis of a penta-heptamethine ketocyanineGlauco Ponterini, Davide Vanossi, Fabio MomicchioliPhysical Chemistry Chemical Physics : PCCP|February 23, 2012
Salt-regulated attraction and repulsion of spherical polyelectrolyte brushes towards polyelectrolyte multilayersChristoph Hanske, Christian Schneider, Markus Drechsler, et al.Physical Chemistry Chemical Physics : PCCP|February 23, 2012
The effect of concentration on Li diffusivity and conductivity in rutile TiO2Handan Yildirim, Jeffrey P Greeley, Subramanian K R S SankaranarayananPhysical Chemistry Chemical Physics : PCCP|February 23, 2012
Enhanced electron field emission properties of high aspect ratio silicon nanowire-zinc oxide core-shell arraysVinayak S Kale, Rajiv Ramanujam Prabhakar, Stevin S Pramana, et al.Physical Chemistry Chemical Physics : PCCP|December 25, 2013
Simple SERS substrates: powerful, portable, and full of potentialJordan F Betz, Wei W Yu, Yi Cheng, et al.Physical Chemistry Chemical Physics : PCCP|December 25, 2013
Sequence-dependent folding landscapes of adenine riboswitch aptamersJong-Chin Lin, Changbong Hyeon, D ThirumalaiPhysical Chemistry Chemical Physics : PCCP|December 25, 2013
The benzoic acid-water complex: a potential atmospheric nucleation precursor studied using microwave spectroscopy and ab initio calculationsElijah G Schnitzler, Wolfgang JägerPhysical Chemistry Chemical Physics : PCCP|July 8, 2014
Assessing the performance of MM/PBSA and MM/GBSA methods. 4. Accuracies of MM/PBSA and MM/GBSA methodologies evaluated by various simulation protocols using PDBbind data setHuiyong Sun, Youyong Li, Sheng Tian, et al.Physical Chemistry Chemical Physics : PCCP|July 8, 2014
On the infrared activation of the breathing mode of methane in iceR Escribano, V Timón, O Gálvez, et al.Pageof 4,886