PHYSICAL CHEMISTRY CHEMICAL PHYSICS -CAMBRIDGE- ROYAL SOCIETY OF CHEMISTRY
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
Table of contents
- 30300
-
ZnO nanoflowers with single crystal structure towards enhanced gas sensing and photocatalysisZhang, Sha / Chen, Hsueh-Shih / Matras-Postolek, Katarzyna et al. | 2015
- 30210
-
A new perspective: imaging the stereochemistry of molecular collisionsAoiz, F. J. / Brouard, M. / Gordon, S. D. S. et al. | 2015
- 30240
-
Designing the topology of ion nano-channels in the mesophases of amphiphilic wedge-shaped moleculesGrafskaia, K. N. / Rueda, J. J. Hernandz / Zhu, X. et al. | 2015
- 326
-
Graphane versus graphene: a computational investigation of the interaction of nucleobases, aminoacids, heterocycles, small molecules (CO2, H2O, NH3, CH4, H2), metal ions and onium ionsElectronic supplementary information (ESI) available: Optimised geometries, binding energies, charge transfer, and the HOMO-LUMO energy gap values. See DOI: 10.1039/c5cp05094dUmadevi, Deivasigamani et al. | 2015
- 30270
-
Sub-surface alloying largely influences graphene nucleation and growth over transition metal substratesZhang, Liying / Zhao, Xingju / Xue, Xinlian et al. | 2015
- 337
-
Influence of the size and charge of gold nanoclusters on complexation with siRNA: a molecular dynamics simulation studyElectronic supplementary information (ESI) available: Table S1 and Fig. S1-S12. Movies of pulling and adsorption of gold nanoclusters and siRNA complexes. See DOI: 10.1039/c5cp05034kSubramanian, Venkatesan et al. | 2015
- 344
-
Interplay of experiment and theory: high resolution infrared spectrum and accurate equilibrium structure of BF2OHElectronic supplementary information (ESI) available: Tables S1-S4. See DOI: 10.1039/c5cp05444cPerrin, Agnès et al. | 2015
- 344
-
Identification of vibrational excitations and optical transitions of the organic electron donor tetraphenyldibenzoperiflanthene (DBP)Electronic supplementary information (ESI) available: Molecular structures. See DOI: 10.1039/c5cp03761aKirchhuebel, Tino et al. | 2015
- 351
-
Enhancement of near-infrared luminescence of ytterbium in triple-stranded binuclear helicatesElectronic supplementary information (ESI) available: 1H NMR spectra of ligands and TG curves. CCDC 1428241 (1) and 948140 (2). For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c5cp05888kGao, Ting et al. | 2015
- 30540
-
Electrochemistry and speciation of Au+ in a deep eutectic solvent: growth and morphology of galvanic immersion coatingsBallantyne, Andrew D. / Forrest, Gregory C. H. / Frisch, Gero et al. | 2015
- 356
-
Physicochemical perspectives (aggregation, structure and dynamics) of interaction between pluronic (L31) and surfactant (SDS)Electronic supplementary information (ESI) available: Fig. S1 illustrates the 1H chemical shifts of SDS for SDS (97 mM)/L31/D2O relative to SDS and the EPR experimental and simulated spectra of the spin probe 5-DSA are documented in Fig. S2. See DOI: 10.1039/c5cp04910ePrameela, G. K. S et al. | 2015
- 30570
-
The pH dependence of OH radical formation in photo-electrochemical water oxidation with rutile TiO2 single crystalsNakabayashi, Yukihiro / Nosaka, Yoshio et al. | 2015
- 359
-
Dual-fluorescence pH probe for bio-labellingElectronic supplementary information (ESI) available: Synthesis and characterization of all compounds can be found. See DOI: 10.1039/c5cp05454kAlexiev, U et al. | 2015
- 366
-
Demystifying fluorine chemical shifts: electronic structure calculations address origins of seemingly anomalous 19F-NMR spectra of fluorohistidine isomers and analoguesElectronic supplementary information (ESI) available: Calculated fluorine chemical shifts with multiple methods; molecular orbitals of fluoroimidazoles; input files for electronic structure calculations. See DOI: 10.1039/c5cp05502dKasireddy, Chandana et al. | 2015
- 367
-
Multi-center covalency: revisiting the nature of anion-π interactionsElectronic supplementary information (ESI) available: Fig. S1: bonding molecular orbitals of selected complexes. Fig. S2: structures of complexes with the atom-numbering scheme. Table S1: delocalization indices, electrostatic and exchange-correlation contributions to binding energy. See DOI: 10.1039/c5cp05777aBadri, Zahra et al. | 2015
- 368
-
Direct determination of ionic transference numbers in ionic liquids by electrophoretic NMRElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cp05753aGouverneur, Martin et al. | 2015
- 30702
-
Structural phases of adsorption for flexible polymers on nanocylinder surfacesGross, Jonathan / Vogel, Thoma / Bachmann, Michael et al. | 2015
- 30191
-
Front cover| 2015
- 30192
-
Inside front cover| 2015
- 30248
-
Programmable diode/resistor-like behavior of nanostructured vanadium pentoxide xerogel thin filmWan, Zhenni / Darling, Robert B. / Anantram, M. P. et al. | 2015
- 3255
-
Accelerated nanoparticles synthesis in alcohol-water-mixture-based solution plasmaElectronic supplementary information (ESI) available: Experimental details; UV-vis spectra of synthesized gold nanoparticles and temporal spectral changes in various ethanol compositions; the investigation of volatile reaction products; the effects of UV light, pH and reaction products, as well as the physical conditions of the plasma, on the reduction reaction of gold ions. See DOI: 10.1039/c5cp05168aSudare, Tomohito et al. | 2015
- 3279
-
Acid-catalyzed carboxylic acid esterification and ester hydrolysis mechanism: acylium ion as a sharing active intermediate via a spontaneous trimolecular reaction based on density functional theory calculation and supported by electrospray ionization-mass spectrometryElectronic supplementary information (ESI) available: (1-4) The atom coordinate tables of the reaction systems in Fig. 1-4; (5) scan curves (III and IV); (6) the atom coordinate table of the structure in Fig. 7; (7) the atom coordinate tables of structure 1-8 in Fig. 13; (8) the trimolecular reaction process graphs of ester hydrolysis and the atom coodinate tables of structure 1-10; (9) the atom coordinate tables of structure 1-4 in Fig. 14; (10) the atom coordinate tables of structures 1 and 2 in Fig. 15. This material is available on the internet. See DOI: 10.1039/c5cp02914gShi, Hongchang et al. | 2015
- 3292
-
Divalent metal ion-mediated assembly of spherical nucleic acids: the case study of Cu2+Electronic supplementary information (ESI) available: R2 of the linear fit, melting transitions of SNA assemblies with M2+, UV-vis spectra of assembled SNAs at various [Cu2+]s, and additional kinetic data. See DOI: 10.1039/c5cp05202eJoo, Jang Ho et al. | 2015
- 30318
-
Interactions of a biocompatible water-soluble anthracenyl polymer derivative with double-stranded DNADeiana, Marco / Mettra, Bastien / Matczyszyn, Katarzyna et al. | 2015
- 3328
-
Solubility of n-butane and 2-methylpropane (isobutane) in 1-alkyl-3-methylimidazolium-based ionic liquids with linear and branched alkyl side-chainsElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cp05572eShimizu, Karina et al. | 2015
- 3343
-
On the energetics of cation ordering in tungsten-bronze-type oxidesElectronic supplementary information (ESI) available: Derivation of thermodynamic equations, energetics data in tabular form and data on crystal structures. See DOI: 10.1039/c5cp05119cSelbach, Sverre Magnus et al. | 2015
- 30352
-
Infrared study of matrix-isolated ethyl cyanide: simulation of the photochemistry in the atmosphere of TitanToumi, A. / Piétri, N. / Couturier-Tamburelli, I. et al. | 2015
- 3371
-
Periodic Hartree-Fock and hybrid density functional calculations on the metallic and the insulating phase of (EDO-TTF)2PF6Electronic supplementary information (ESI) available: Technical details and technical discussions of the results. See DOI: 10.1039/c5cp05187hvan Duijnen, Piet Th et al. | 2015
- 30378
-
Dynamic atomic contributions to infrared intensities of fundamental bandsSilva, Arnaldo F. / Richter, Wagner E. / Bassi, Adalberto B. M. S. et al. | 2015
- 30389
-
Atomistic bond relaxation, energy entrapment, and electron polarization of the RbN and CsN clusters (N ≤ 58)Guo, Yongling / Bo, Maolin / Wang, Yan et al. | 2015
- 30417
-
Band alignment and charge transfer in rutile-TiO2/CH3NH3PbI3−xClx interfacesNemnes, G. A. / Goehry, C. / Mitran, T. L. et al. | 2015
- 3424
-
Triarylborane conjugated dicyanovinyl chromophores: intriguing optical properties and colorimetric anion discriminationElectronic supplementary information (ESI) available: NMR spectra, crystal and DFT data, calculation of binding constant and detection limit. CCDC 1052590 (1) and 1417197 (2). For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c5cp05378aKumar, George Rajendra et al. | 2015
- 30433
-
Hybrid functional study of the NASICON-type Na3V2(PO4)3: crystal and electronic structures, and polaron–Na vacancy complex diffusionBui, Kieu My / Dinh, Van An / Okada, Susumu et al. | 2015
- 30461
-
Plasmonic color analysis of Ag-coated black-Si SERS substrateAsiala, Steven M. / Marr, James M. / Gervinskas, Gedimina et al. | 2015
- 3481
-
Structure and dynamics of aqueous 2-propanol: a THz-TDS, NMR and neutron diffraction studyElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cp01132aHardacre, Christopher et al. | 2015
- 30492
-
Au13−nAgn clusters: a remarkably simple trendMunoz, Francisco / Varas, Alejandro / Rogan, José et al. | 2015
- 30518
-
Effective rate constant for nanostructured heterogeneous catalystsRajabi, Leila / Hendy, S. C. et al. | 2015
- 3525
-
Light harvesting in photonic crystals revisited: why do slow photons at the blue edge enhance absorption?Electronic supplementary information (ESI) available: Details of numerical computation aspects is included. See DOI: 10.1039/c5cp04983kDeparis, O et al. | 2015
- 30533
-
Spontaneous transition of a water droplet from the Wenzel state to the Cassie state: a molecular dynamics simulation studyWang, Jiadao / Chen, Shuai / Chen, Darong et al. | 2015
- 3551
-
Proton transport mechanism of imidazole, triazole and phosphoric acid mixtures from ab initio molecular dynamics simulationsElectronic supplementary information (ESI) available: Evidence of non-constructive and constructive proton transport for PA-TRZ and PA-IMD systems from real time simulation trajectories. Movies of proton transfer from IMD+ to IMD in a PA-IMD system (Movie S1), TRZ to PA in PA-TRZ (Movie S2) and PA-IMD-TRZ systems (Movie S3). See DOI: 10.1039/c5cp05735cRoy, Sudip et al. | 2015
- 30577
-
Measurement and modelling of reactive transport in geological barriers for nuclear waste containmentXiong, Qingrong / Joseph, Claudia / Schmeide, Katja et al. | 2015
- 30613
-
H2O–CH4 and H2S–CH4 complexes: a direct comparison through molecular beam experiments and ab initio calculationsCappelletti, David / Bartocci, Alessio / Frati, Federica et al. | 2015
- 30624
-
Application-oriented computational studies on a series of D–π–A structured porphyrin sensitizers with different electron-donor groupsFan, Chencheng / Zhang, Bao / Li, Yuanchao et al. | 2015
- 3632
-
Effect of hydration on the organo-noble gas molecule HKrCCH: role of krypton in the stabilization of hydrated HKrCCH complexesElectronic supplementary information (ESI) available: Full list of the stretching frequency, the bond length of the different groups of HKrCCH, charges, occupancy of the different bonding and antibonding orbital as well as the topological parameters obtained from the AIM analysis. See DOI: 10.1039/c5cp04744gSingh, Prashant Chandra et al. | 2015
- 30648
-
Radiation-induced transformations of matrix-isolated formic acid: evidence for the HCOOH → HOCO + H channelRyazantsev, Sergey V. / Feldman, Vladimir I. et al. | 2015
- 3659
-
Fluorescence emissions of imide compounds and end-capped polyimides enhanced by intramolecular double hydrogen bondsElectronic supplementary information (ESI) available: The calculated MOs of NHPI, 3HNHPI, and DHNHPI (the TD-DFT method at the B3LYP/6-311++G(d,p) level); the absorption and the fluorescence spectrum of DMNHPI in CHCl3; the calculated electronic transitions of the anion form of DHNHPI (DHNHPI−) in the optimized S0 geometry; the spatial distributions of the HOMO and the LUMO of DHNHPI− (the TD-DFT method at the B3LYP/6-311++G(d,p) level); the ATR FT-IR spectra of PI films; the TGA curve of the PI films; the calculated energies (E(RB3LYP)) of DHNHPI isomers and tautomers in the optimized S0 geometry; and the crystal data and experimental details of 3HNHPI and DHNHPI. CCDC 1420248 and 1420249. For ESI and crystallographic data in CIF or other electroinc format see DOI: 10.1039/c5cp05055cKanosue, Kenta et al. | 2015
- 3687
-
Fe- and Co-P4-embedded graphenes as electrocatalysts for the oxygen reduction reaction: theoretical insightsElectronic supplementary information (ESI) available: The optimized structures of the products of O2 dissociation on Fe- and Co-P4-embedded graphenes, adsorption configurations of various ORR species on Fe- and Co-P4-embedded graphenes, and O2 adsorption on (a) Fe-P2- and (b) Fe-P3-embedded graphenes. See DOI: 10.1039/c5cp05551bLiu, Yuejie et al. | 2015
- 30721
-
DOS and electron attachment effects in the electron-induced vibrational excitation of terphenylthiol SAMsHouplin, J. / Amiaud, L. / Dablemont, C. et al. | 2015
- 3729
-
Can HN&z.dbd;NH, FN&z.dbd;NH, or HN&z.dbd;CHOH bridge the σ-hole and the lone pair at P in binary complexes with H2XP, for X = F, Cl, NC, OH, CN, CCH, CH3, and H?Electronic supplementary information (ESI) available: Geometries, total energies, and molecular graphs of all complexes; components of spin-spin coupling constants 1pJ(P-N), 2hJ(N-P), J(N-P), and 2hJ(O-P); plots of energy densities versus corresponding bond distances; representation of 2hJ(O-P) versus the O-P distance. See DOI: 10.1039/c5cp05832eDel Bene, Janet E et al. | 2015
- 3736
-
A theoretical study of O2 activation by the Au7-cluster on Mg(OH)2: roles of surface hydroxyls and hydroxyl defectsElectronic supplementary information (ESI) available: The less stable adsorption states of O2 on the Au7-cluster and at the interface between the cluster and the perfect Mg(OH)2(0001) surface, and the less stable adsorption states of O2 on the Au7-cluster supported on the (VOH-1) and (VOH-2) defective Mg(OH)2(0001) surface. See DOI: 10.1039/c5cp05591aFan, Weiliu et al. | 2015
- 30751
-
Back cover| 2015
- 30193
-
Contents list| 2015
- 30229
-
Probing electrode/electrolyte interfaces in situ by X-ray spectroscopies: old methods, new tricksWu, Cheng Hao / Weatherup, Robert S. / Salmeron, Miquel B. et al. | 2015
- 30255
-
Accelerated nanoparticles synthesis in alcohol–water-mixture-based solution plasmaSudare, Tomohito / Ueno, Tomonaga / Watthanaphanit, Anyarat et al. | 2015
- 30260
-
Graphane versus graphene: a computational investigation of the interaction of nucleobases, aminoacids, heterocycles, small molecules (CO2, H2O, NH3, CH4, H2), metal ions and onium ionsUmadevi, Deivasigamani / Narahari Sastry, G. et al. | 2015
- 30279
-
Acid-catalyzed carboxylic acid esterification and ester hydrolysis mechanism: acylium ion as a sharing active intermediate via a spontaneous trimolecular reaction based on density functional theory calculation and supported by electrospray ionization-mass spectrometryShi, Hongchang / Wang, Yilei / Hua, Ruimao et al. | 2015
- 30292
-
Divalent metal ion-mediated assembly of spherical nucleic acids: the case study of Cu2+Joo, Jang Ho / Lee, Jae-Seung et al. | 2015
- 30307
-
Influence of the size and charge of gold nanoclusters on complexation with siRNA: a molecular dynamics simulation studyMudedla, Sathish Kumar / Azhagiya Singam, Ettayapuram Ramaprasad / Balamurugan, Kanagasabai et al. | 2015
- 30328
-
Solubility of n-butane and 2-methylpropane (isobutane) in 1-alkyl-3-methylimidazolium-based ionic liquids with linear and branched alkyl side-chainsPison, Laure / Shimizu, Karina / Tamas, George et al. | 2015
- 30343
-
On the energetics of cation ordering in tungsten-bronze-type oxidesOlsen, Gerhard Henning / Selbach, Sverre Magnu / Grande, Tor et al. | 2015
- 30364
-
Stacking of the mutagenic base analogue 5-bromouracil: energy landscapes of pyrimidine dimers in gas phase and waterHolroyd, Leo F. / van Mourik, Tanja et al. | 2015
- 30371
-
Periodic Hartree–Fock and hybrid density functional calculations on the metallic and the insulating phase of (EDO-TTF)2PF6Linker, Gerrit-Jan / van Loosdrecht, Paul H. M. / van Duijnen, Piet Th. et al. | 2015
- 30389
-
Atomistic bond relaxation, energy entrapment, and electron polarization of the RbN and CsN clusters (N<= 58)Guo, Y. / Bo, M. / Wang, Y. et al. | 2015
- 30398
-
Fluorescence from an H-aggregated naphthalenediimide based peptide: photophysical and computational investigation of this rare phenomenonBasak, Shibaji / Nandi, Nibedita / Bhattacharyya, Kalishankar et al. | 2015
- 30404
-
Identification of vibrational excitations and optical transitions of the organic electron donor tetraphenyldibenzoperiflanthene (DBP)Rouillé, Gaël / Kirchhuebel, Tino / Rink, Marcel et al. | 2015
- 30424
-
Triarylborane conjugated dicyanovinyl chromophores: intriguing optical properties and colorimetric anion discriminationKumar, George Rajendra / Sarkar, Samir Kumar / Thilagar, Pakkirisamy et al. | 2015
- 30440
-
Interplay of experiment and theory: high resolution infrared spectrum and accurate equilibrium structure of BF2OHVogt, Natalja / Demaison, Jean / Rudolph, Heinz Dieter et al. | 2015
- 30450
-
Understanding the adsorption behavior of surface active molecules on ZnO nanostructures by experimental and first-principles calculationsSingh, Baljinder / Singh, Satvinder / Singh, Janpreet et al. | 2015
- 30468
-
The luminescence properties of the heteroleptic [Re(CO)3(NcapN)Cl] and [Re(CO)3(NcapN)(CH3CN)]+ complexes in view of the combined Marcus-Jortner and Mulliken-Hush formalismWozna, A. / Kapturkiewicz, A. et al. | 2015
- 30468
-
The luminescence properties of the heteroleptic [Re(CO)3(N∩N)Cl] and [Re(CO)3(N∩N)(CH3CN)]+ complexes in view of the combined Marcus–Jortner and Mulliken–Hush formalismWoźna, Agnieszka / Kapturkiewicz, Andrzej et al. | 2015
- 30481
-
Structure and dynamics of aqueous 2-propanol: a THz-TDS, NMR and neutron diffraction studyMcGregor, Jame / Li, Ruoyu / Zeitler, J. Axel et al. | 2015
- 30499
-
Solvation effects on the band edge positions of photocatalysts from first principlesPing, Yuan / Sundararaman, Ravishankar / Goddard III, William A. et al. | 2015
- 30510
-
Enhancement of near-infrared luminescence of ytterbium in triple-stranded binuclear helicatesLi, Bing / Li, Hongfeng / Chen, Peng et al. | 2015
- 30525
-
Light harvesting in photonic crystals revisited: why do slow photons at the blue edge enhance absorption?Deparis, O. / Mouchet, S. R. / Su, B.-L. et al. | 2015
- 30551
-
Proton transport mechanism of imidazole, triazole and phosphoric acid mixtures from ab initio molecular dynamics simulationsPahari, Swagata / Roy, Sudip et al. | 2015
- 30560
-
Physicochemical perspectives (aggregation, structure and dynamics) of interaction between pluronic (L31) and surfactant (SDS)Prameela, G. K. S. / Phani Kumar, B. V. N. / Pan, A. et al. | 2015
- 30590
-
Dual-fluorescence pH probe for bio-labellingRichter, C. / Schneider, C. / Quick, M. T. et al. | 2015
- 30598
-
Computational investigation of NH3 adsorption and dehydrogenation on a W-modified Fe(111) surfaceHsiao, Ming-Kai / Su, Chia-Hao / Liu, Ching-Yang et al. | 2015
- 30606
-
Demystifying fluorine chemical shifts: electronic structure calculations address origins of seemingly anomalous 19F-NMR spectra of fluorohistidine isomers and analoguesKasireddy, Chandana / Bann, James G. / Mitchell-Koch, Katie R. et al. | 2015
- 30624
-
Application-oriented computational studies on a series of D-p-A structured porphyrin sensitizers with different electron-donor groupsFan, C. / Zhang, B. / Li, Y. et al. | 2015
- 30632
-
Effect of hydration on the organo-noble gas molecule HKrCCH: role of krypton in the stabilization of hydrated HKrCCH complexesBiswas, Biswajit / Singh, Prashant Chandra et al. | 2015
- 30642
-
Hydrogen bond mediated stabilization of the salt bridge structure for the glycine dimer anionHeiles, S. / Cooper, Richard J. / Berden, Giel et al. | 2015
- 30659
-
Fluorescence emissions of imide compounds and end-capped polyimides enhanced by intramolecular double hydrogen bondsKanosue, Kenta / Ando, Shinji et al. | 2015
- 30670
-
Multi-center covalency: revisiting the nature of anion–π interactionsForoutan-Nejad, Cina / Badri, Zahra / Marek, Radek et al. | 2015
- 30670
-
Multi-center covalency: revisiting the nature of anion-p interactionsForoutan-Nejad, C. / Badri, Z. / Marek, R. et al. | 2015
- 30680
-
Direct determination of ionic transference numbers in ionic liquids by electrophoretic NMRGouverneur, Martin / Kopp, Jakob / van Wüllen, Leo et al. | 2015
- 30687
-
Fe– and Co–P4-embedded graphenes as electrocatalysts for the oxygen reduction reaction: theoretical insightsFeng, Liyan / Liu, Yuejie / Zhao, Jingxiang et al. | 2015
- 30695
-
Sign change of magnetoresistance in Gd-doped amorphous carbon granular filmsDing, Shihao / Jin, Chao / Fan, Ziwei et al. | 2015
- 30712
-
Revealing the working mechanism of polymer photodetectors with ultra-high external quantum efficiencyLi, Lingliang / Zhang, Fujun / Wang, Wenbin et al. | 2015
- 30729
-
Can HN&z.dbd;NH, FN&z.dbd;NH, or HN&z.dbd;CHOH bridge the σ-hole and the lone pair at P in binary complexes with H2XP, for X = F, Cl, NC, OH, CN, CCH, CH3, and H?Del Bene, Janet E. / Alkorta, Ibon / Elguero, José et al. | 2015
- 30729
-
Can HN[double bond, length as m-dash]NH, FN[double bond, length as m-dash]NH, or HN[double bond, length as m-dash]CHOH bridge the σ-hole and the lone pair at P in binary complexes with H2XP, for X = F, Cl, NC, OH, CN, CCH, CH3, and H?Alkorta, Ibon et al. | 2015
- 30736
-
A theoretical study of O2 activation by the Au7-cluster on Mg(OH)2: roles of surface hydroxyls and hydroxyl defectsJia, Chuanyi / Fan, Weiliu et al. | 2015
- 30744
-
Enhancement of spin polarization induced by Coulomb on-site repulsion between localized pz electrons in graphene embedded with line defectsRen, Ji-Chang / Wang, Zhigang / Zhang, Rui-Qin et al. | 2015
-
Fluorescence from an H-aggregated naphthalenediimide based peptide: photophysical and computational investigation of this rare phenomenonElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cp05236jNandi, Nibedita et al. | 2015
-
Sign change of magnetoresistance in Gd-doped amorphous carbon granular films61.43.Dq, 75.47.-m, 72.20.-i, 61.72.VvDing, Shihao et al. | 2015
-
Revealing the working mechanism of polymer photodetectors with ultra-high external quantum efficiencyElectronic supplementary information (ESI) available: Detailed optical field distribution, EQE spectra, transmittance spectra, transient Jph curves and the spectrum of the light source used in this work. See DOI: 10.1039/c5cp05557aZhang, Fujun et al. | 2015
-
Enhancement of spin polarization induced by Coulomb on-site repulsion between localized pz electrons in graphene embedded with line defectsElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cp03764fVan Hove, Michel A et al. | 2015
-
Stacking of the mutagenic base analogue 5-bromouracil: energy landscapes of pyrimidine dimers in gas phase and waterThe research data supporting this publication can be accessed at http://dx.doi.org/10.17630/e784629e-5794-4135-8299-a49c64991a9cElectronic supplementary information (ESI) available: Methodological details; description of scans; tables with geometrical parameters and interaction energies of all optimised minima and transition states; Cartesian coordinates of optimised minima and transition states. See DOI: 10.1039/c5cp04612bvan Mourik, Tanja et al. | 2015
-
Solvation effects on the band edge positions of photocatalysts from first principlesElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cp05740jGoddard III, William A et al. | 2015