PHYSICAL CHEMISTRY CHEMICAL PHYSICS -CAMBRIDGE- ROYAL SOCIETY OF CHEMISTRY
Die Inhaltsverzeichnisse werden automatisch erzeugt und basieren auf den im Index des TIB-Portals verfügbaren Einzelnachweisen der enthaltenen Beiträge. Die Anzeige der Inhaltsverzeichnisse kann daher unvollständig oder lückenhaft sein.
Inhaltsverzeichnis
- 38
-
Insights into the mechanism of electrochemical ozone production via water splitting on the Ni and Sb doped SnO2 catalystElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp06906aGibson, Gregory et al. | 2017
- 41
-
Connectivity pattern modifies excited state relaxation dynamics of fluorophore-photoswitch molecular dyadsElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp07112kSchweighöfer, F et al. | 2017
- 43
-
A computational study on how structure influences the optical properties in model crystal structures of amyloid fibrilsElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp07564aGrisanti, Luca et al. | 2017
- 3440
-
Molecular electron acceptors for efficient fullerene-free organic solar cellsLi, Shuixing / Zhang, Zhongqiang / Shi, Minmin et al. | 2017
- 3480
-
Growth and structure of ultrathin praseodymium oxide layers on ruthenium(0001)Höcker, Jan / Krisponeit, Jon-Olaf / Cambeis, Julian et al. | 2017
- 3550
-
Selective bond breaking of CO2 in phase-locked two-color intense laser fields: laser field intensity dependenceEndo, Tomoyuki / Fujise, Hikaru / Kawachi, Yuuna et al. | 2017
- 356
-
Fast and accurate MAS-DNP simulations of large spin ensemblesElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp07881hMentink-Vigier, Frédéric et al. | 2017
- 364
-
Cyclopentadithiophene organic core in small molecule organic solar cells: morphological control of carrier recombinationElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp08166eDomínguez, Rocío et al. | 2017
- 3606
-
Kinetic analysis of non-isothermal solid-state reactions: multi-stage modeling without assumptions in the reaction mechanismPomerantsev, Alexey L. / Kutsenova, Alla V. / Rodionova, Oxana Ye. et al. | 2017
- 366
-
Band gap opening in stanene induced by patterned B-N dopingElectronic supplementary information (ESI) available: TDOS (total density of states) of B@stanene, N@stanene, and 4% B-N@stanene (pattern-a) at the HSE06 level of theory, total energy versus time step of the AIMD simulations carried out in different doped systems at room temperature, phonon dispersion of different doped stanene structures, TDOS/PDOS under strain for some of these structures, and tabulation of electrostatic potentials of the system, structural parameters and band gap values. See DOI: 10.1039/c6cp07505cGarg, Priyanka et al. | 2017
- 367
-
Formation of carbon nanodots with different spin states in mechanically processed mixtures of ZnO with carbon nanoparticles: an electron paramagnetic resonance studyElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp07685hKakazey, M et al. | 2017
- 376
-
The crucial role of Mn spiral spin order in stabilizing the Dy-Mn exchange striction in multiferroic DyMnO3PACS: 75.85.+t, 75.25.−j, 75.80.+q, 77.80.−eWang, H. W et al. | 2017
- 377
-
Tuning of intrinsic antiferromagnetic to ferromagnetic ordering in microporous α-MnO2 by inducing tensile strainElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp07259cKruthika, G et al. | 2017
- 382
-
Semi-Dirac semimetal in silicene oxideElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp08439gZhong, Chengyong et al. | 2017
- 387
-
Understanding room-temperature π-dimerisation of radical ions: intramolecular π-[TTF]22+ in functionalised calix[4]arenesElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp07794cFumanal, Maria et al. | 2017
- 397
-
Microsolvation of the pyrrole cation (Py+) with nonpolar and polar ligands: infrared spectra of Py+-Ln with L = Ar, N2, and H2O (n ≤ 3)Electronic supplementary information (ESI) available. See DOI: 10.1039/c6cp07251hSchütz, Markus et al. | 2017
- 414
-
Self-assembly of core-shell structures driven by low doping limit of Ti in LiCoO2: first-principles thermodynamic and experimental investigationKim, Subeen et al. | 2017
- 4140
-
Back cover| 2017
- 419
-
Transition metal (Co, Ni) nanoparticles wrapped with carbon and their superior catalytic activities for the reversible hydrogen storage of magnesium hydrideElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp07852dHuang, Xu et al. | 2017
- 441
-
Deep eutectic solvents: similia similibus solvuntur?Electronic supplementary information (ESI) available: The cluster displacement function of a classical molecular dynamics simulation and the NCh-C-C-OCh dihedral angle distribution of choline. See DOI: 10.1039/c6cp08017kZahn, Stefan et al. | 2017
- 448
-
Evolution of magnetism by rolling up hexagonal boron nitride nanosheets tailored with superparamagnetic nanoparticlesElectronic supplementary information (ESI) available: Materials and methods. Fig. S1-S12. See DOI: 10.1039/c6cp08353fHwang, Da Young et al. | 2017
- 456
-
Prototypical iron(ii) complex with 4-amino-1,2,4-triazole reinvestigated: an unexpected impact of water on spin transitionElectronic supplementary information (ESI) available: Selected DSC and magnetic data, SEM images, and kinetic data. See DOI: 10.1039/c6cp06854eBushuev, Mark B et al. | 2017
- 469
-
Cesium power: low Cs+ levels impart stability to perovskite solar cellsElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp08022gDeepa, Melepurath et al. | 2017
- 4078
-
Polaron dynamics in anisotropic Holstein–Peierls systemsRibeiro Junior, Luiz Antonio / Stafström, Sven et al. | 2017
- 4085
-
Temperature-controlled colossal magnetoresistance and perfect spin Seebeck effect in hybrid graphene/boron nitride nanoribbonsZhu, Lin / Li, Ruimin / Yao, Kailun et al. | 2017
- 3417
-
Front cover| 2017
- 3418
-
Inside front cover| 2017
- 3419
-
Contents list| 2017
- 3459
-
Understanding the connection between conformational changes of peptides and equilibrium thermal fluctuationsSoler, Miguel A. / Zúñiga, José / Requena, Alberto et al. | 2017
- 3459
-
Understanding the connection between conformational changes of peptides and equilibrium thermal fluctuationsElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp06776jSoler, Miguel A et al. | 2017
- 3464
-
Polarization independence of laser-induced nucleation in supersaturated aqueous urea solutionsElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp07997kLiu, Yao et al. | 2017
- 3464
-
Polarization independence of laser-induced nucleation in supersaturated aqueous urea solutionsLiu, Yao / Ward, Martin R. / Alexander, Andrew J. et al. | 2017
- 3468
-
Exploring the relevance of gas-phase structures to biology: cold ion spectroscopy of the decapeptide neurokinin APereverzev, A. Y. / Boyarkin, O. V. et al. | 2017
- 3468
-
Exploring the relevance of gas-phase structures to biology: cold ion spectroscopy of the decapeptide neurokinin AElectronic supplementary information (ESI) available: Additional supplementary figures. See DOI: 10.1039/c6cp07953aPereverzev, A. Y et al. | 2017
- 3473
-
Indirect consequences of exciplex states on the phosphorescence lifetime of phenazine-based 1,2,3-triazole luminescent probesCosta, Bárbara B. A. / Jardim, Guilherme A. M. / Santos, Paloma L. et al. | 2017
- 3473
-
Indirect consequences of exciplex states on the phosphorescence lifetime of phenazine-based 1,2,3-triazole luminescent probesElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp06134fCosta, Bárbara B. A et al. | 2017
- 3486
-
Fatigue mechanism of yttrium-doped hafnium oxide ferroelectric thin films fabricated by pulsed laser depositionHuang, Fei / Chen, Xing / Liang, Xiao et al. | 2017
- 3486
-
Fatigue mechanism of yttrium-doped hafnium oxide ferroelectric thin films fabricated by pulsed laser depositionElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp07501kHuang, Fei et al. | 2017
- 3498
-
An atomic-level insight into the basic mechanism responsible for the enhancement of the catalytic oxidation of carbon monoxide on a Cu/CeO2 surfaceKoizumi, Kenichi / Nobusada, Katsuyuki / Boero, Mauro et al. | 2017
- 3506
-
Fast and accurate MAS–DNP simulations of large spin ensemblesMentink-Vigier, Frédéric / Vega, Shimon / De Paëpe, Gaël et al. | 2017
- 3523
-
Crystallization kinetics of cerium oxide nanoparticles formed by spontaneous, room-temperature hydrolysis of cerium(iv) ammonium nitrate in light and heavy waterPettinger, Natasha W. / Williams, Robert E. A. / Chen, Jinquan et al. | 2017
- 3523
-
Crystallization kinetics of cerium oxide nanoparticles formed by spontaneous, room-temperature hydrolysis of cerium(iv) ammonium nitrate in light and heavy waterElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp08227kPettinger, Natasha W et al. | 2017
- 3532
-
Prediction of a novel 10-fold gold coordinated structure in AuIn2 above 10 GPaModak, P. / Verma, Ashok K. et al. | 2017
- 3538
-
Phase diagram and superconductivity of compressed zirconium hydridesLi, Xiao-Feng / Hu, Zi-Yu / Huang, Bing et al. | 2017
- 3538
-
Phase diagram and superconductivity of compressed zirconium hydridesElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp08036gLi, Xiao-Feng et al. | 2017
- 3544
-
Hidden negative linear compressibility in lithium l-tartrateElectronic supplementary information (ESI) available: Crystallographic information files, detailed experimental procedures and additional graphical material. CCDC 1473901, 1473903, 1473906, 1473908-1473915, 1474433, 1474434. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c6cp08690jYeung, Hamish H.-M et al. | 2017
- 3544
-
Hidden negative linear compressibility in lithium l-tartrateYeung, Hamish H.-M. / Kilmurray, Rebecca / Hobday, Claire L. et al. | 2017
- 3557
-
Hydrogen diffusion into the subsurfaces of model metal catalysts from first principlesShen, Xiangjian / Li, Yuanjie / Liu, Xianglin et al. | 2017
- 3565
-
Synthesis and optical and electrochemical properties of julolidine-structured pyrido[3,4-b]indole dyeEnoki, Toshiaki / Matsuo, Keishi / Ohshita, Joji et al. | 2017
- 3565
-
Synthesis and optical and electrochemical properties of julolidine-structured pyrido[3,4-b]indole dyeElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp08573cEnoki, Toshiaki et al. | 2017
- 3575
-
Mechanistic insights into heterogeneous methane activationElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp08003kLatimer, Allegra A et al. | 2017
- 3575
-
Mechanistic insights into heterogeneous methane activationLatimer, Allegra A. / Aljama, Hassan / Kakekhani, Arvin et al. | 2017
- 3582
-
Two different critical regimes enclosed in the Bean–Rodbell model and their implications for the field dependence and universal scaling of the magnetocaloric effectRomero-Muñiz, C. / Franco, V. / Conde, A. et al. | 2017
- 3596
-
Effect of electron spectral diffusion on static dynamic nuclear polarization at 7 TeslaLeavesley, Alisa / Shimon, Daphna / Siaw, Ting Ann et al. | 2017
- 3616
-
Probing sub-nano level molecular packing and correlated positron annihilation characteristics of ionic cross-linked chitosan membranes using positron annihilation spectroscopyXia, Rui / Cao, Xingzhong / Gao, Meizhen et al. | 2017
- 3627
-
Impact of morphology on polaron delocalization in a semicrystalline conjugated polymerSteyrleuthner, Robert / Zhang, Yuexing / Zhang, Lei et al. | 2017
- 3627
-
Impact of morphology on polaron delocalization in a semicrystalline conjugated polymerElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp07485eSteyrleuthner, Robert et al. | 2017
- 3640
-
Cyclopentadithiophene organic core in small molecule organic solar cells: morphological control of carrier recombinationDomínguez, Rocío / Montcada, Núria F. / de la Cruz, Pilar et al. | 2017
- 3649
-
Theoretical studies on FGFR isoform selectivity of FGFR1/FGFR4 inhibitors by molecular dynamics simulations and free energy calculationsElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp07964dFu, Weitao et al. | 2017
- 3649
-
Theoretical studies on FGFR isoform selectivity of FGFR1/FGFR4 inhibitors by molecular dynamics simulations and free energy calculationsFu, Weitao / Chen, Lingfeng / Wang, Zhe et al. | 2017
- 3660
-
Band gap opening in stanene induced by patterned B–N dopingGarg, Priyanka / Choudhuri, Indrani / Mahata, Arup et al. | 2017
- 3670
-
Formation of carbon nanodots with different spin states in mechanically processed mixtures of ZnO with carbon nanoparticles: an electron paramagnetic resonance studyKakazey, M. / Vlasova, M. / Gómez-Vidales, V. et al. | 2017
- 3679
-
Probing the electronic structures of Con (n = 1-5) clusters on g-Al2O3 surfaces using first-principles calculationsYang, T. / Ehara, M. et al. | 2017
- 3679
-
Probing the electronic structures of Con (n = 1–5) clusters on γ-Al2O3 surfaces using first-principles calculationsYang, Tao / Ehara, Masahiro et al. | 2017
- 3679
-
Probing the electronic structures of Con (n = 1-5) clusters on γ-Al2O3 surfaces using first-principles calculationsElectronic supplementary information (ESI) available: Co-Co bond distances of Co clusters and electron density difference maps. See DOI: 10.1039/c6cp06785aYang, Tao et al. | 2017
- 3688
-
Photoassist-phosphorylated TiO2 as a catalyst for direct formation of 5-(hydroxymethyl)furfural from glucoseHattori, Masashi / Kamata, Keigo / Hara, Michikazu et al. | 2017
- 3688
-
Photoassist-phosphorylated TiO2 as a catalyst for direct formation of 5-(hydroxymethyl)furfural from glucoseElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp06864bHattori, Masashi et al. | 2017
- 3694
-
Adsorbing the 3d-transition metal atoms to effectively modulate the electronic and magnetic behaviors of zigzag SiC nanoribbonsLi, Hui / Chen, Wei / Shen, Xiaopeng et al. | 2017
- 3706
-
The crucial role of Mn spiral spin order in stabilizing the Dy–Mn exchange striction in multiferroic DyMnO3Wang, H. W. / Li, C. L. / Yuan, S. L. et al. | 2017
- 3713
-
Combining the spin-separated exact two-component relativistic Hamiltonian with the equation-of-motion coupled-cluster method for the treatment of spin–orbit splittings of light and heavy elementsCao, Zhanli / Li, Zhendong / Wang, Fan et al. | 2017
- 3722
-
Second-harmonic phase determination by real-time in situ interferometryClancy, Bason / Salafsky, Joshua et al. | 2017
- 3729
-
Eu3+-Doped Y3−xNdxAl3O12 garnet: synthesis and structural investigationPavasaryte, L. / Katelnikovas, A. / Klimavicius, V. et al. | 2017
- 3729
-
Eu3+-Doped Y3−xNdxAl3O12 garnet: synthesis and structural investigationElectronic supplementary information (ESI) available: More FTIR, XRD measurements, SEM pictures and NMR spectrum of the Y3−xNdxAl5O12, Y2.9Nd0.1Al5O12:Eu and Y3−xNdxAl5O12:Eu are placed in the Fig S1-S9. See DOI: 10.1039/c6cp07723dPavasaryte, L et al. | 2017
- 3738
-
Thermodynamic stability of stoichiometric LaFeO3 and BiFeO3: a hybrid DFT studyHeifets, Eugene / Kotomin, Eugene A. / Bagaturyants, Alexander A. et al. | 2017
- 3738
-
Thermodynamic stability of stoichiometric LaFeO3 and BiFeO3: a hybrid DFT studyElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp07986eHeifets, Eugene et al. | 2017
- 3756
-
The initial stages of melting of graphene between 4000 K and 6000 KGanz, Eric / Ganz, Ariel B. / Yang, Li-Ming et al. | 2017
- 3756
-
The initial stages of melting of graphene between 4000 K and 6000 KElectronic supplementary information (ESI) available: Short movies of parts of the molecular dynamics simulations for graphene at 4000, 4500, 5000, and 6000 K are available. We include a movie of the formation of a single isolated 5775 defect at 5000 K. We include top and side views of snapshots from the last frame of each simulation. RMSD and bond orientational order plots are also included. Additional computational details are listed. A plot of the Lindemann criteria vs. temperature is included. We also show a single atom on top of the lattice with a vacancy defect. We also show flat separated 57 and 75 defects. See DOI: 10.1039/c6cp06940aGanz, Eric et al. | 2017
- 3763
-
Ag-Au bimetallic nanoclusters formed from a homogeneous gas phase: a new thermodynamic expression confirmed by molecular dynamics simulationElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp08508cAkbarzadeh, H et al. | 2017
- 3763
-
Ag–Au bimetallic nanoclusters formed from a homogeneous gas phase: a new thermodynamic expression confirmed by molecular dynamics simulationAkbarzadeh, H. / Shamkhali, A. N. / Mehrjouei, E. et al. | 2017
- 3770
-
Tuning of intrinsic antiferromagnetic to ferromagnetic ordering in microporous a-MnO2 by inducing tensile strainKruthika, G. / Karthikeyan, J. / Murugan, P. et al. | 2017
- 3770
-
Tuning of intrinsic antiferromagnetic to ferromagnetic ordering in microporous α-MnO2 by inducing tensile strainKruthika, G. / Karthikeyan, J. / Murugan, P. et al. | 2017
- 3777
-
A tailored multi-frequency EPR approach to accurately determine the magnetic resonance parameters of dynamic nuclear polarization agents: application to AMUPolGast, P. / Mance, D. / Zurlo, E. et al. | 2017
- 3777
-
A tailored multi-frequency EPR approach to accurately determine the magnetic resonance parameters of dynamic nuclear polarization agents: application to AMUPolElectronic supplementary information (ESI) available: Materials and methods, additional EPR spectra, and full details of simulations. See DOI: 10.1039/c6cp05864gGast, P et al. | 2017
- 3782
-
Ethane C–H bond activation on the Fe(iv)–oxo species in a Zn-based cluster of metal–organic frameworks: a density functional theory studyImpeng, Sarawoot / Siwaipram, Siwarut / Bureekaew, Sareeya et al. | 2017
- 3782
-
Ethane C-H bond activation on the Fe(iv)-oxo species in a Zn-based cluster of metal-organic frameworks: a density functional theory studyElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp07771dImpeng, Sarawoot et al. | 2017
- 3792
-
The decomposition of benzenesulfonyl azide: a matrix isolation and computational studyElectronic supplementary information (ESI) available: Calculated IR spectroscopic data, energies, and coordinates for all species discussed in the paper. See DOI: 10.1039/c6cp08125hDeng, Guohai et al. | 2017
- 3792
-
The decomposition of benzenesulfonyl azide: a matrix isolation and computational studyDeng, Guohai / Dong, Xuelin / Liu, Qifan et al. | 2017
- 3800
-
Insights into the mechanism of electrochemical ozone production via water splitting on the Ni and Sb doped SnO2 catalystGibson, Gregory / Wang, Ziyun / Hardacre, Christopher et al. | 2017
- 3807
-
Understanding room-temperature π-dimerisation of radical ions: intramolecular π-[TTF]22+ in functionalised calix[4]arenesFumanal, Maria / Capdevila-Cortada, Marçal / Novoa, Juan J. et al. | 2017
- 3807
-
Understanding room-temperature p-dimerisation of radical ions: intramolecular p-[TTF]22+ in functionalised calix[4]arenesFumanal, M. / Capdevila-Cortada, M. / Novoa, J. et al. | 2017
- 3820
-
Semi-Dirac semimetal in silicene oxideZhong, Chengyong / Chen, Yuanping / Xie, Yuee et al. | 2017
- 3826
-
Reactions in silicon–nitrogen plasmaKovačević, Goran / Pivac, Branko et al. | 2017
- 3826
-
Reactions in silicon-nitrogen plasmaElectronic supplementary information (ESI) available: (1) Selection of active spaces in CASPT2 calculations, (2) Cartesian coordinates of all stationary points along reaction pathways, (3) reaction energy profiles for studied reactions and (4) enthalpies and Gibbs free energies. See DOI: 10.1039/c6cp05395eKova evi, Goran et al. | 2017
- 3837
-
AFM study on the adsorption of Hg2+ on natural molybdenum disulfide in aqueous solutionsJia, Feifei / Zhang, Xian / Song, Shaoxian et al. | 2017
- 3845
-
The dynamic binding of cholesterol to the multiple sites of C99: as revealed by coarse-grained and all-atom simulationsElectronic supplementary information (ESI) available: The binding conformation, residue contribution and hydrogen bond of each binding site are depicted in the ESI. Figures and Tables are presented in the ESI. See DOI: 10.1039/c6cp07873gLi, Cheng-Dong et al. | 2017
- 3845
-
The dynamic binding of cholesterol to the multiple sites of C99: as revealed by coarse-grained and all-atom simulationsLi, Cheng-Dong / Xu, Qin / Gu, Ruo-Xu et al. | 2017
- 3857
-
Dynamics of the O + H2+ → OH+ + H, OH + H+ proton and hydrogen atom transfer reactions on the two lowest potential energy surfacesMartínez, Rodrigo / Paniagua, Miguel / Mayneris-Perxachs, Jordi et al. | 2017
- 3869
-
Predicting point defect equilibria across oxide hetero-interfaces: model system of ZrO2/Cr2O3Yang, Jing et al. | 2017
- 3884
-
Direct mapping of the electric permittivity of heterogeneous non-planar thin films at gigahertz frequencies by scanning microwave microscopyBiagi, Maria Chiara / Badino, Giorgio / Fabregas, Rene et al. | 2017
- 3894
-
Gas diffusion on graphene surfacesSun, Chengzhen / Bai, Bofeng et al. | 2017
- 3903
-
Solubility origin at the nanoscale: enthalpic and entropic contributions in polar and nonpolar environmentsFileti, Eude / Chaban, Vitaly V. et al. | 2017
- 3911
-
Particle-impact analysis of the degree of cluster formation of rutile nanoparticles in aqueous solutionElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp08531hShimizu, Kenichi et al. | 2017
- 3911
-
Particle-impact analysis of the degree of cluster formation of rutile nanoparticles in aqueous solutionShimizu, Kenichi / Sokolov, Stanislav V. / Young, Neil P. et al. | 2017
- 3922
-
The frequency-dependent response of single aerosol particles to vapour phase oscillations and its application in measuring diffusion coefficientsPreston, Thomas C. / Davies, James F. / Wilson, Kevin R. et al. | 2017
- 3932
-
Layer-separable and gap-tunable topological insulatorsChang, Kai-Wei / Ji, Wei / Kaun, Chao-Cheng et al. | 2017
- 3937
-
Nonadiabatic photodynamics and UV absorption spectrum of all-trans-octatetraeneLyskov, Igor / Köppel, Horst / Marian, Christel M. et al. | 2017
- 3937
-
Nonadiabatic photodynamics and UV absorption spectrum of all-trans-octatetraeneElectronic supplementary information (ESI) available: 1D cuts of excited states potential energy surfaces. See DOI: 10.1039/c6cp07640hLyskov, Igor et al. | 2017
- 3948
-
Ten-gram scale SiC@SiO2 nanowires: high-yield synthesis towards industrialization, in situ growth mechanism and their peculiar photoluminescence and electromagnetic wave absorption propertiesLi, Z. J. / Yu, H. Y. / Song, G. Y. et al. | 2017
- 3955
-
Mechanism of activated chemiluminescence of cyclic peroxides: 1,2-dioxetanes and 1,2-dioxetanonesAugusto, Felipe A. / Francés-Monerris, Antonio / Fdez. Galván, Ignacio et al. | 2017
- 3955
-
Mechanism of activated chemiluminescence of cyclic peroxides: 1,2-dioxetanes and 1,2-dioxetanonesElectronic supplementary information (ESI) available: Cartesian coordinates of geometries from Table 1 and Fig. 3; details of the active space used in Table 2; nature of some molecular orbitals from Fig. 3. See DOI: 10.1039/c6cp08154aAugusto, Felipe A et al. | 2017
- 3963
-
Influence of Zn on the photoluminescence of colloidal (AgIn)xZn2(1−x)S2 nanocrystalsSharma, Dharmendar Kumar / Hirata, Shuzo / Bujak, Lukasz et al. | 2017
- 3963
-
Influence of Zn on the photoluminescence of colloidal (AgIn)xZn2(1−x)S2 nanocrystalsElectronic supplementary information (ESI) available: Fig. S1-S8 and Tables S1 and S2. See DOI: 10.1039/c6cp07550aSharma, Dharmendar Kumar et al. | 2017
- 3970
-
Microsolvation of the pyrrole cation (Py+) with nonpolar and polar ligands: infrared spectra of Py+-Ln with L = Ar, N2, and H2O (n<= 3)Schutz, M. / Matsumoto, Y. / Bouchet, A. et al. | 2017
- 3970
-
Microsolvation of the pyrrole cation (Py+) with nonpolar and polar ligands: infrared spectra of Py+–Ln with L = Ar, N2, and H2O (n ≤ 3)Schütz, Marku / Matsumoto, Yoshiteru / Bouchet, Aude et al. | 2017
- 3987
-
Molecular electronic structure in one-dimensional Coulomb systemsBall, Caleb J. / Loos, Pierre-Françoi / Gill, Peter M. W. et al. | 2017
- 3999
-
Polaronic transport in iron phosphate glasses containing HfO2 and CeO2Šantić, Ana / Banhatti, Radha D. / Pavić, Luka et al. | 2017
- 4010
-
Connectivity pattern modifies excited state relaxation dynamics of fluorophore–photoswitch molecular dyadsSchweighöfer, F. / Moreno, J. / Bobone, S. et al. | 2017
- 4019
-
Transition metal (Co, Ni) nanoparticles wrapped with carbon and their superior catalytic activities for the reversible hydrogen storage of magnesium hydrideHuang, Xu / Xiao, Xuezhang / Zhang, Wei et al. | 2017
- 4030
-
A computational study on how structure influences the optical properties in model crystal structures of amyloid fibrilsGrisanti, Luca / Pinotsi, Dorothea / Gebauer, Ralph et al. | 2017
- 4041
-
Deep eutectic solvents: similia similibus solvuntur?Zahn, Stefan et al. | 2017
- 4048
-
Evolution of magnetism by rolling up hexagonal boron nitride nanosheets tailored with superparamagnetic nanoparticlesHwang, Da Young / Choi, Kyoung Hwan / Park, Jeong Eon et al. | 2017
- 4056
-
Prototypical iron(ii) complex with 4-amino-1,2,4-triazole reinvestigated: an unexpected impact of water on spin transitionBushuev, Mark B. / Pishchur, Denis P. / Korolkov, Ilya V. et al. | 2017
- 4069
-
Cesium power: low Cs+ levels impart stability to perovskite solar cellsDeepa, Melepurath / Salado, Manuel / Calio, Laura et al. | 2017
- 4093
-
Unlocking the electronic genome of halogenobenzenesJezowski, Sebastian R. / Baer, Ryan / Monaco, Stephen et al. | 2017
- 4114
-
A density functional theory based approach for predicting melting points of ionic liquidsChen, Lihua / Bryantsev, Vyacheslav S. et al. | 2017
- 4114
-
A density functional theory based approach for predicting melting points of ionic liquidsThe United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains, a nonexclusive, paid-up, irrevocable, worldwide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. The Department of Energy will provide public access to these results of federally sponsored research in accordance with the DOE Public Access Plan (http://energy.gov/downloads/doe-public-access-plan).Electronic supplementary information (ESI) available: Full details of computing ΔGlatt, a description of the computational protocol based on the VBT approach, Table S1 showing the comparison of the computed and experimental lattice parameters and molecular volumes for 11 ILs, Table S2 listing the lattice enthalpies, entropies, and free energies, solvation free energies, and the resulting fusion free energies at standard conditions, Fig. S1 showing a correlation of computed and experimental melting points, and Cartesian coordinates of all the polyatomic ions accompanied by their electronic energies obtained at the M06-2X/6-31+G(d, p) level of theory. See DOI: 10.1039/c6cp08403fChen, Lihua et al. | 2017
- 4125
-
Engineering magnetic anisotropy and magnetization switching in multilayers by strainTao, Kun / Liu, Pengfei / Guo, Qing et al. | 2017
- 4131
-
Coexistence phenomenon of Ce3+–Ce4+ and Eu2+–Eu3+ in Ce/Eu co-doped LiBaB9O15 phosphor: luminescence and energy transferLi, Ting / Li, Panlai / Wang, Zhijun et al. | 2017
- 4139
-
Inside back cover| 2017
-
Unlocking the electronic genome of halogenobenzenesElectronic supplementary information (ESI) available: Tables and additional figures mention in the manuscript are available. See DOI: 10.1039/c6cp07403kJezowski, Sebastian R et al. | 2017
-
Effect of electron spectral diffusion on static dynamic nuclear polarization at 7 TeslaElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp06893fLeavesley, Alisa et al. | 2017
-
Adsorbing the 3d-transition metal atoms to effectively modulate the electronic and magnetic behaviors of zigzag SiC nanoribbonsElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp06717dLi, Hui et al. | 2017