PCCP. Physical Chemistry Chemical Physics - An International Journal
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
- 1627
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Front cover| 2019
- 1628
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Inside front cover| 2019
- 1629
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Contents list| 2019
- 1645
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Fullerene and endometallofullerene Kagome lattices with symmetry-forced spin frustrationKonarev, Dmitri V. / Khasanov, Salavat S. / Shimizu, Yasuhiro et al. | 2019
- 1645
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Fullerene and endometallofullerene Kagome lattices with symmetry-forced spin frustrationElectronic supplementary information (ESI) available: Materials, synthesis routes, and crystallographic data for 1 and 2; IR and UV-vis-NIR spectra and magnetic properties of 1 and 2; crystal structure of 2; and NMR data for 1. CCDC 1874828 and 1874829. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c8cp07017bKonarev, Dmitri V. / Khasanov, Salavat S. / Shimizu, Yasuhiro et al. | 2019
- 1650
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Electron transfer mediates vibrational relaxation of CO in collisions with Ag(111)Electronic supplementary information (ESI) available. See DOI: 10.1039/c8cp06041jWagner, Roman J. V. / Krüger, Bastian C. / Park, G. Barratt et al. | 2019
- 1650
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Electron transfer mediates vibrational relaxation of CO in collisions with Ag(111)Wagner, Roman J. V. / Krüger, Bastian C. / Park, G. Barratt et al. | 2019
- 1656
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Nucleation of pseudo hard-spheres and dumbbells at moderate metastability: appearance of A15 Frank–Kasper phase at intermediate elongationsZubieta, Itziar / Vázquez del Saz, Miguel / Llombart, Pablo et al. | 2019
- 1671
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Studying NAD(P)H cofactor-binding to alcohol dehydrogenases through global analysis of circular dichroism spectraElectronic supplementary information (ESI) available: Protein preparation, details on data analysis, validation, quantum chemical calculations. See DOI: 10.1039/c8cp04869jMarolt, Marija / Lüdeke, Steffen et al. | 2019
- 1671
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Studying NAD(P)H cofactor-binding to alcohol dehydrogenases through global analysis of circular dichroism spectraMarolt, Marija / Lüdeke, Steffen et al. | 2019
- 1682
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Orientation of nitro-group governs the fluorescence lifetime of nitrobenzoxadiazole (NBD)-labeled lipids in lipid bilayersElectronic supplementary information (ESI) available. See DOI: 10.1039/c8cp06064aFilipeH. A. L. F. and S. P. contributed equally to this work., Hugo A. L. / Pokorná, Šárka / Hof, Martin et al. | 2019
- 1682
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Orientation of nitro-group governs the fluorescence lifetime of nitrobenzoxadiazole (NBD)-labeled lipids in lipid bilayersFilipe, Hugo A. L. / Pokorná, Šárka / Hof, Martin et al. | 2019
- 1689
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Role of sterics in phosphine-ligated gold clustersParrish, Katherine A. / King, Mary / Ligare, Marshall R. et al. | 2019
- 1689
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Role of sterics in phosphine-ligated gold clustersElectronic supplementary information (ESI) available. See DOI: 10.1039/c8cp04961kParrish, Katherine A. / King, Mary / Ligare, Marshall R. et al. | 2019
- 1700
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Formation and characterization of nano- and microstructures of twinned cubic boron nitrideBhaumik, Anagh / Narayan, Jagdish et al. | 2019
- 1711
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Dynamical exciton decay in organic materials: the role of bimolecular recombinationde Sousa, Leonardo Evaristo / Bueno, Fernando Teixeira / da Silva Filho, Demétrio Antônio et al. | 2019
- 1717
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Highly localized H2O librational motion as a far-infrared spectroscopic probe for microsolvation of organic moleculesMihrin, D. / Andersen, J. / Jakobsen, P. W. et al. | 2019
- 1724
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The impact on the ring related vibrational frequencies of pyridine of hydrogen bonds with haloforms – a topology perspectiveElectronic supplementary information (ESI) available. See DOI: 10.1039/c8cp04789hBenassi, Enrico / Akhmetova, Kamila / Fan, Haiyan et al. | 2019
- 1724
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The impact on the ring related vibrational frequencies of pyridine of hydrogen bonds with haloforms – a topology perspectiveBenassi, Enrico / Akhmetova, Kamila / Fan, Haiyan et al. | 2019
- 1737
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Self-emitting blue and red EuOX (X = F, Cl, Br, I) materials: band structure, charge transfer energy, and emission energyKim, Donghyeon / Jeong, Jae Ryeol / Jang, Yujin et al. | 2019
- 1737
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Self-emitting blue and red EuOX (X = F, Cl, Br, I) materials: band structure, charge transfer energy, and emission energyElectronic supplementary information (ESI) available. See DOI: 10.1039/c8cp06470aKim, Donghyeon / JeongPresent address: Department of Applied Chemistry, Kyung Hee University, Yongin, Gyeonggi 17104, Republic of Korea., Jae Ryeol / Jang, Yujin et al. | 2019
- 1750
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The dramatic effect of N-methylimidazole on trans axial ligand binding to ferric heme: experiment and theoryElectronic supplementary information (ESI) available. See DOI: 10.1039/c8cp06210bAarabi, Mohammad / Omidyan, Reza / Soorkia, Satchin et al. | 2019
- 1750
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The dramatic effect of N-methylimidazole on trans axial ligand binding to ferric heme: experiment and theoryAarabi, Mohammad / Omidyan, Reza / Soorkia, Satchin et al. | 2019
- 1761
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Multiscale molecular thermodynamics of graphene-oxide liquid-phase exfoliationElectronic supplementary information (ESI) available. See DOI: 10.1039/c8cp07115bFarajian, Amir A. / Mortezaee, Reza / OsbornPresent address: Structural Materials Division, University of Dayton Research Institute, 1700 S. Patterson Blvd. Dayton, OH 45409, USA., Tim H. et al. | 2019
- 1761
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Multiscale molecular thermodynamics of graphene-oxide liquid-phase exfoliationFarajian, Amir A. / Mortezaee, Reza / Osborn, Tim H. et al. | 2019
- 1773
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Theoretical design of a series of 2D TM–C3N4 and TM–C3N4@graphene (TM = V, Nb and Ta) nanostructures with highly efficient catalytic activity for the hydrogen evolution reactionWang, Ting / Yu, Guangtao / Liu, Jingwei et al. | 2019
- 1773
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Theoretical design of a series of 2D TM–C3N4 and TM–C3N4@graphene (TM = V, Nb and Ta) nanostructures with highly efficient catalytic activity for the hydrogen evolution reactionElectronic supplementary information (ESI) available. See DOI: 10.1039/c8cp06011hWang, Ting / Yu, Guangtao / Liu, Jingwei et al. | 2019
- 1784
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Aggregation of amyloid peptides into fibrils driven by nanoparticles and their curvature effectElectronic supplementary information (ESI) available. See DOI: 10.1039/c8cp07211fLi, Bin / Zhang, Ran / Shi, Xinghua et al. | 2019
- 1784
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Aggregation of amyloid peptides into fibrils driven by nanoparticles and their curvature effectLi, Bin / Zhang, Ran / Shi, Xinghua et al. | 2019
- 1791
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Transition-metal dichalcogenides/Mg(OH)2 van der Waals heterostructures as promising water-splitting photocatalysts: a first-principles studyLuo, Yi / Wang, Sake / Ren, Kai et al. | 2019
- 1797
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Dissociative photodetachment vs. photodissociation of aromatic carboxylates: the benzoate and naphthoate anionsPino, Gustavo A. / Jara-Toro, Rafael A. / Aranguren-Abrate, Juan P. et al. | 2019
- 1797
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Dissociative photodetachment vs. photodissociation of aromatic carboxylates: the benzoate and naphthoate anionsElectronic supplementary information (ESI) available. See DOI: 10.1039/c8cp07162dPino, Gustavo A. / Jara-Toro, Rafael A. / Aranguren-Abrate, Juan P. et al. | 2019
- 1805
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Collision-induced absorption between O2–CO2 for the a1Δg (v = 1) ← X3Σ−g (v = 0) transition of molecular oxygen at 1060 nmBanerjee, Agniva / Mandon, Julien / Harren, Fran et al. | 2019
- 1812
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Multiscale modeling of charge transfer in polymers with flexible backbonesElectronic supplementary information (ESI) available: Inverse participation per monomer (IPR) value of crystalline PE oligomers, relationship between electronic couplings and density of PE (oligomers), validity of the cutoff distance (rc) for KMC simulations, and the distribution of Marcus parameters for the amorphous C12H26 structure with 50 molecules. See DOI: 10.1039/c8cp05558kSato, Masahiro / Kumada, Akiko / Hidaka, Kunihiko et al. | 2019
- 1812
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Multiscale modeling of charge transfer in polymers with flexible backbonesSato, Masahiro / Kumada, Akiko / Hidaka, Kunihiko et al. | 2019
- 1820
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Formation and infrared identification of protonated fluoranthene isomers 3-, 9-, and 10-C16H11+ in solid para-H2Electronic supplementary information (ESI) available: Tables: Vibrational wavenumbers and IR intensities of fluoranthene (C16H10) in p-H2 and Ar matrices and those predicted with the B3PW91/6-311++G(2d, 2p) method. Optimized ground-state coordinates, scaled harmonic vibrational wavenumbers, and IR intensities of 1-, 2-, 3-, 9-, and 10-C16H11+ predicted with the B3PW91/6-311++G(2d, 2p) method. Figures: Ground-state structures of C16H10, 1-, 2-, 3-, 9-, and 10-C16H11+ optimized with the B3PW91/6-311++G(2d, 2p) method. Comparison of the IR spectra of C16H10 in p-H2 and Ar matrices, and calculations. Spectra recorded at varied stages of the experiment in regions 788–1030 cm−1 and 1030–1280 cm−1. Expanded spectra recorded at varied stages of the experiment in the region 1070–1100 cm−1. Difference spectra in the region 1280–1330 cm−1 obtained upon consecutive secondary photolysis at 375, 460, and 520 nm. Mulliken charge population of fluoranthene (C16H10). Predicted UV-vis spectra of 1-, 3-, 9-, and 10-C16H11+ with the TD-DFT/6-311++G(2d, 2p) method. See DOI: 10.1039/c8cp05849kChakraborty, Arghya / Lee, Yuan-Pern et al. | 2019
- 1820
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Formation and infrared identification of protonated fluoranthene isomers 3-, 9-, and 10-C16H11+ in solid para-H2Chakraborty, Arghya / Lee, Yuan-Pern et al. | 2019
- 1830
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Metal doped armchair graphene nanoribbons: electronic structure, carrier mobility and device propertiesHan, J. N. / He, X. / Fan, Z. Q. et al. | 2019
- 1841
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Small molecule binders recognize DNA microstructural variations via an induced fit mechanismElectronic supplementary information (ESI) available. See DOI: 10.1039/c8cp05537hCarter, E. Kathleen / Laughlin-Toth, Sarah / Dodd, Thomas et al. | 2019
- 1841
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Small molecule binders recognize DNA microstructural variations via an induced fit mechanismCarter, E. Kathleen / Laughlin-Toth, Sarah / Dodd, Thoma et al. | 2019
- 1852
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Modeling of a fast-response magnetic-sensitive hydrogel for dynamic control of microfluidic flowLiu, Qimin / Li, Hua / Lam, K. Y. et al. | 2019
- 1863
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Time-resolved multirotational dynamics of single solution-phase tau proteins reveals details of conformational variationFoote, Alexander K. / Manger, Lydia H. / Holden, Michael R. et al. | 2019
- 1863
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Time-resolved multirotational dynamics of single solution-phase tau proteins reveals details of conformational variationElectronic supplementary information (ESI) available. See DOI: 10.1039/c8cp06971aFoote, Alexander K. / Manger, Lydia H. / Holden, Michael R. et al. | 2019
- 1872
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Spatial confinement – rapid 2D F− diffusion in micro- and nanocrystalline RbSn2F5Electronic supplementary information (ESI) available: Further NMR spectra and conductivity data. See DOI: 10.1039/c8cp07206jGombotz, Maria / Lunghammer, Sarah / Breuer, Stefan et al. | 2019
- 1872
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Spatial confinement – rapid 2D F− diffusion in micro- and nanocrystalline RbSn2F5Gombotz, Maria / Lunghammer, Sarah / Breuer, Stefan et al. | 2019
- 1884
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A coarse-grained model for mechanical behavior of phosphorene sheetsElectronic supplementary information (ESI) available. See DOI: 10.1039/c8cp06918bLiu, Ning / Becton, Matthew / Zhang, Liuyang et al. | 2019
- 1884
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A coarse-grained model for mechanical behavior of phosphorene sheetsLiu, Ning / Becton, Matthew / Zhang, Liuyang et al. | 2019
- 1895
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Thermodiffusion of citrate-coated γ-Fe2O3 nanoparticles in aqueous dispersions with tuned counter-ions – anisotropy of the Soret coefficient under a magnetic fieldKouyaté, M. / Filomeno, C. L. / Demouchy, G. et al. | 2019
- 1904
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Doping engineering of thermoelectric transport in BNC heteronanotubesMedrano Sandonas, Leonardo / Cuba-Supanta, Gustavo / Gutierrez, Rafael et al. | 2019
- 1904
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Doping engineering of thermoelectric transport in BNC heteronanotubesElectronic supplementary information (ESI) available. See DOI: 10.1039/c8cp05592kMedrano Sandonas, Leonardo / Cuba-Supanta, Gustavo / Gutierrez, Rafael et al. | 2019
- 1912
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Assessing the transferability of common top-down and bottom-up coarse-grained molecular models for molecular mixturesElectronic supplementary information (ESI) available. See DOI: 10.1039/c8cp05889jPotter, Thomas D. / Tasche, Jos / Wilson, Mark R. et al. | 2019
- 1912
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Assessing the transferability of common top-down and bottom-up coarse-grained molecular models for molecular mixturesPotter, Thomas D. / Tasche, Jo / Wilson, Mark R. et al. | 2019
- 1928
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Effect of hindered internal rotation treatments on predicting the thermodynamic properties of alkanesElectronic supplementary information (ESI) available. See DOI: 10.1039/c8cp07308bGao, Yage / He, Tanjin / Li, Xiaoyu et al. | 2019
- 1928
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Effect of hindered internal rotation treatments on predicting the thermodynamic properties of alkanesGao, Yage / He, Tanjin / Li, Xiaoyu et al. | 2019
- 1937
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Electron correlation effects in the photoionization of CO and isoelectronic diatomic moleculesPonzi, A. / Quadri, N. / Angeli, C. et al. | 2019
- 1952
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A vacuum ultraviolet photoionization study on the formation of methanimine (CH2NH) and ethylenediamine (NH2CH2CH2NH2) in low temperature interstellar model ices exposed to ionizing radiationZhu, Cheng / Frigge, Robert / Turner, Andrew M. et al. | 2019
- 1952
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A vacuum ultraviolet photoionization study on the formation of methanimine (CH2NH) and ethylenediamine (NH2CH2CH2NH2) in low temperature interstellar model ices exposed to ionizing radiationElectronic supplementary information (ESI) available. See DOI: 10.1039/c8cp06002aZhuThese authors contributed equally., Cheng / Frigge, Robert / Turner, Andrew M. et al. | 2019
- 1963
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Swelling of clay minerals: dual characteristics of K+ ions and exploration of critical influencing factorsElectronic supplementary information (ESI) available. See DOI: 10.1039/c8cp07567kLi, Xiong / Li, Qinyi / Yang, Sen et al. | 2019
- 1963
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Swelling of clay minerals: dual characteristics of K+ ions and exploration of critical influencing factorsLi, Xiong / Li, Qinyi / Yang, Sen et al. | 2019
- 1972
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Vacuum-UV induced DNA strand breaks – influence of the radiosensitizers 5-bromouracil and 8-bromoadenineVogel, Stefanie / Ebel, Kenny / Heck, Christian et al. | 2019
- 1972
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Vacuum-UV induced DNA strand breaks – influence of the radiosensitizers 5-bromouracil and 8-bromoadenineElectronic supplementary information (ESI) available. See DOI: 10.1039/c8cp06813eVogel, Stefanie / Ebel, Kenny / Heck, Christian et al. | 2019
- 1980
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Attenuation of neuroblastoma cell growth by nisin is mediated by modulation of phase behavior and enhanced cell membrane fluidityPrince, Ashutosh / Tiwari, Anuj / Ror, Pankaj et al. | 2019
- 1980
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Attenuation of neuroblastoma cell growth by nisin is mediated by modulation of phase behavior and enhanced cell membrane fluidityElectronic supplementary information (ESI) available. See DOI: 10.1039/c8cp06378hPrince, Ashutosh / TiwariThese authors contributed equally to this work., Anuj / Ror, Pankaj et al. | 2019
- 1988
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The effect of protein backbone hydration on the amide vibrations in Raman and Raman optical activity spectraElectronic supplementary information (ESI) available: Geometry analysis, supporting spectra and details of the similarity analysis. See DOI: 10.1039/c8cp06423gMensch, Carl / Bultinck, Patrick / Johannessen, Christian et al. | 2019
- 1988
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The effect of protein backbone hydration on the amide vibrations in Raman and Raman optical activity spectraMensch, Carl / Bultinck, Patrick / Johannessen, Christian et al. | 2019
- 2006
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Theoretical studies on photo-induced cycloaddition and (6-4) reactions of the thymidine:4-thiothymidine dimer in a DNA duplexElectronic supplementary information (ESI) available: Molecular orbitals, additional optimized structures and Cartesian coordinates. See DOI: 10.1039/c8cp07063fXie, Bin-Bin / Cui, Cheng-Xing et al. | 2019
- 2006
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Theoretical studies on photo-induced cycloaddition and (6-4) reactions of the thymidine:4-thiothymidine dimer in a DNA duplexXie, Bin-Bin / Cui, Cheng-Xing et al. | 2019
- 2017
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Competition of singlet and triplet recombination of radical pairs in photoreactions of carboxy benzophenones and aromatic amino acidsMorozova, Olga B. / Sherin, Peter S. / Yurkovskaya, Alexandra V. et al. | 2019
- 2017
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Competition of singlet and triplet recombination of radical pairs in photoreactions of carboxy benzophenones and aromatic amino acidsElectronic supplementary information (ESI) available: Cartesian coordinates, energy, and absorption spectrum via transition electric dipole moments for TCBP·H2O calculated using ORCA. The TA kinetics for TCBP under anaerobic and aerobic conditions. See DOI: 10.1039/c8cp06760kMorozova, Olga B. / Sherin, Peter S. / Yurkovskaya, Alexandra V. et al. | 2019
- 2029
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Unexpected trends in the hydrophobicity of fluorinated amino acids reflect competing changes in polarity and conformationElectronic supplementary information (ESI) available: Description of force fields and simulation details, hydration free energies, electrostatic potential in the vicinity of amino acid side chains, linear models to reproduce the calculated hydration free energies, radial distribution functions, conformational changes in fluorinated side chains. AMBER-format force fields for mono- and di-fluorinated amino acids. See DOI: 10.1039/c8cp07025cRobalo, João R. / Vila Verde, Ana et al. | 2019
- 2029
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Unexpected trends in the hydrophobicity of fluorinated amino acids reflect competing changes in polarity and conformationRobalo, João R. / Vila Verde, Ana et al. | 2019
- 2039
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Pronounced changes in atomistic mechanisms for the Cl− + CH3I SN2 reaction with increasing collision energyPratihar, Subha / Nicola Barbosa Muniz, Maria Carolina / Ma, Xinyou et al. | 2019
- 2039
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Pronounced changes in atomistic mechanisms for the Cl− + CH3I SN2 reaction with increasing collision energyElectronic supplementary information (ESI) available. See DOI: 10.1039/c8cp06198jPratihar, Subha / Nicola Barbosa Muniz, Maria Carolina / Ma, Xinyou et al. | 2019
- 2046
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Non-covalent complexes of the peptide fragment Gly-Asn-Asn-Gln-Gln-Asn-Tyr in the gas-phase. Photodissociative cross-linking, Born–Oppenheimer molecular dynamics, and ab initio computational binding studyElectronic supplementary information (ESI) available: Tables S1–S9 and Fig. S1–S12. See DOI: 10.1039/c8cp06893cHuang, Shu R. / Liu, Yang / Tureček, František et al. | 2019
- 2046
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Non-covalent complexes of the peptide fragment Gly-Asn-Asn-Gln-Gln-Asn-Tyr in the gas-phase. Photodissociative cross-linking, Born–Oppenheimer molecular dynamics, and ab initio computational binding studyHuang, Shu R. / Liu, Yang / Tureček, František et al. | 2019
- 2057
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Charge transport parameters for carbon based nanohoops and donor–acceptor derivativesCanola, Sofia / Graham, Christina / Pérez-Jiménez, Ángel José et al. | 2019
- 2057
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Charge transport parameters for carbon based nanohoops and donor–acceptor derivativesElectronic supplementary information (ESI) available: Absolute energies, energy of the frontier molecular orbitals, reorganization energies from AP method, intermolecular distances of the dimers considered, and parameters employed to compute the rate constants, electronic couplings and rate constants. Molecular structure and comparison among equilibrium structures, frontier molecular orbitals, HR factors and representation of active modes, details on charge transport paths, and electronic couplings of the model systems upon translation and rotation. See DOI: 10.1039/c8cp06727aCanola, Sofia / Graham, Christina / Pérez-Jiménez, Ángel José et al. | 2019
- 2069
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Suppressing depolarization by tail substitution in an organic supramolecular ferroelectricElectronic supplementary information (ESI) available. See DOI: 10.1039/c8cp06315jUrbanaviciute, Indre / Bhattacharjee, Subham / Biler, Michal et al. | 2019
- 2069
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Suppressing depolarization by tail substitution in an organic supramolecular ferroelectricUrbanaviciute, Indre / Bhattacharjee, Subham / Biler, Michal et al. | 2019
- 2080
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Ultrafast excitation energy transfer in a benzimidazole–naphthopyran donor–acceptor dyadElectronic supplementary information (ESI) available: Syntheses of dyad and reference molecules; crystallographic data and calculated ground- and excited-state structures; static fluorescence spectra; fluorescence quantum yields; fluorescence lifetime of PPBI; spectral overlap integral between the area-normalized emission spectrum of PPBI and the molar absorption spectrum of DPNP; unscaled femtosecond transient absorption maps; acceptor-excited contribution to the dyad data; details on SVD analysis. See DOI: 10.1039/c8cp05054fWang, Shuangqing / Bohnsack, Mats / Megow, Sebastian et al. | 2019
- 2080
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Ultrafast excitation energy transfer in a benzimidazole–naphthopyran donor–acceptor dyadWang, Shuangqing / Bohnsack, Mat / Megow, Sebastian et al. | 2019
- 2093
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Crowding and conformation interplay on human DNA G-quadruplex by ultraviolet resonant Raman scatteringElectronic supplementary information (ESI) available. See DOI: 10.1039/c8cp04728fDi Fonzo, Silvia / Bottari, Cettina / Brady, John W. et al. | 2019
- 2093
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Crowding and conformation interplay on human DNA G-quadruplex by ultraviolet resonant Raman scatteringDi Fonzo, Silvia / Bottari, Cettina / Brady, John W. et al. | 2019
- 2102
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Carrier dynamics in highly excited TlInS2: evidence of 2D electron–hole charge separation at parallel layersGrivickas, Vytauta / Ščajev, Patrik / Bikbajevas, Vitaliju et al. | 2019
- 2102
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Carrier dynamics in highly excited TlInS2: evidence of 2D electron–hole charge separation at parallel layersElectronic supplementary information (ESI) available. See DOI: 10.1039/c8cp06209aGrivickas, Vytautas / Ščajev, Patrik / Bikbajevas, Vitalijus et al. | 2019
- 2115
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Temperature coefficients of Li-ion battery single electrode potentials and related entropy changes – revisitedSwiderska-Mocek, A. / Rudnicka, E. / Lewandowski, A. et al. | 2019
- 2121
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Depletion driven self-assembly of block copolymer solutions by homopolymersYang, Tao / Lei, Zhen / Yang, Shuang et al. | 2019
- 2121
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Depletion driven self-assembly of block copolymer solutions by homopolymersElectronic supplementary information (ESI) available: Movie for the dynamic formation process of complex solution (AVI). See DOI: 10.1039/c8cp06679eYang, Tao / Lei, Zhen / Yang, Shuang et al. | 2019
- 2128
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First-principles theoretical designing of planar non-fullerene small molecular acceptors for organic solar cells: manipulation of noncovalent interactionsElectronic supplementary information (ESI) available. See DOI: 10.1039/c8cp05763jMahmood, Asif / Tang, Ailing / Wang, Xiaochen et al. | 2019
- 2128
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First-principles theoretical designing of planar non-fullerene small molecular acceptors for organic solar cells: manipulation of noncovalent interactionsMahmood, Asif / Tang, Ailing / Wang, Xiaochen et al. | 2019
- 2140
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Do ternary liquid mixtures exhibit negative main Fick diffusion coefficients?Electronic supplementary information (ESI) available: Includes information on determination of partial molar volumes of a binary mixture, Gibbs triangles of the studied mixtures in terms of mole fractions and tabular data for examined mixtures in three considered reference frames. See DOI: 10.1039/c8cp06795cKozlova, S. / Mialdun, A. / Ryzhkov, I. et al. | 2019
- 2140
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Do ternary liquid mixtures exhibit negative main Fick diffusion coefficients?Kozlova, S. / Mialdun, A. / Ryzhkov, I. et al. | 2019
- 2153
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Improved model on fluorescence decay in singlet fission materialsHu, Fang-qi / Zhao, Qing / Peng, Xu-biao et al. | 2019
- 2153
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Improved model on fluorescence decay in singlet fission materialsElectronic supplementary information (ESI) available. See DOI: 10.1039/c8cp06380jHu, Fang-qi / Zhao, Qing / Peng, Xu-biao et al. | 2019
- 2166
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De novo prediction of cross-effect efficiency for magic angle spinning dynamic nuclear polarizationElectronic supplementary information (ESI) available. See DOI: 10.1039/c8cp06819dMentink-Vigier, Frédéric / Barra, Anne-Laure / van Tol, Johan et al. | 2019
- 2166
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De novo prediction of cross-effect efficiency for magic angle spinning dynamic nuclear polarizationMentink-Vigier, Frédéric / Barra, Anne-Laure / van Tol, Johan et al. | 2019
- 2177
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The complete conformational panorama of formanilide–water complexes: the role of water as a conformational switchPinacho, Pablo / Blanco, Susana / López, Juan Carlo et al. | 2019
- 2177
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The complete conformational panorama of formanilide–water complexes: the role of water as a conformational switchElectronic supplementary information (ESI) available. See DOI: 10.1039/c8cp06959jPinacho, Pablo / Blanco, Susana / López, Juan Carlos et al. | 2019
- 2186
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Thermodynamic limits of countercurrent reactor systems, with examples in membrane reactors and the ceria redox cycleBulfin, Brendan et al. | 2019
- 2196
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Correction: 3T1R model and tuning of thermoluminescence intensity by optimization of dopant concentration in monoclinic Gd2O3:Er3+;Yb3+ co-doped phosphorTamrakar, Raunak Kumar / Upadhyay, Kanchan / Bisen, D. P. et al. | 2019
- 2199
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Inside back cover| 2019
- 2200
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Back cover| 2019