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
- 642
-
Challenging compounds for calculating molecular second hyperpolarizabilities: the triplet state of the trimethylenemethane diradical and two derivativesElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cp06547jde Wergifosse, Marc et al. | 2016
- 643
-
Donor-driven conformational flexibility in a real-life catalytic dicopper(ii) peroxo complexDedicated to Prof. Dr. Gernot Frenking on the occasion of his 70th birthday.Electronic supplementary information (ESI) available: Tables with key geometric parameters and energies of all conformers, CDA details and tables for all fragments, key MOs of the pzpz and the pypz conformer. See DOI: 10.1039/c5cp05009jHoffmann, A et al. | 2016
- 6580
-
A general view on the reactivity of the oxygen-functionalized graphene basal planeDobrota, Ana S. / Pašti, Igor A. / Mentus, Slavko V. et al. | 2016
- 659
-
Two-bit memory and quantized storage phenomenon in conventional MOS structures with double-stacked Pt-NCs in an HfAlO matrixElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cp07650aZhou, Guangdong et al. | 2016
- 6607
-
Quantum dynamical investigation of the isotope effect in H2 formation on graphite at cold collision energiesPasquini, Marta / Bonfanti, Matteo / Martinazzo, Rocco et al. | 2016
- 671
-
Synthesis and spectral measurements of sulphonated graphene: some anomalous observationsElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cp05799jMaiti, Susmita et al. | 2016
- 676
-
Oxygen vacancies as active sites for H2S dissociation on the rutile TiO2(110) surface: a first-principles studyElectronic supplementary information (ESI) available: Fig. S1-S6. See DOI: 10.1039/c5cp06835eWang, Fang et al. | 2016
- 678
-
HSO3Cl: a prototype molecule for studying OH-stretching overtone induced photodissociationElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cp07319gYosa Reyes, Juvenal et al. | 2016
- 685
-
Molecular simulations of imidazolium-based tricyanomethanide ionic liquids using an optimized classical force fieldElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cp05892aVergadou, Niki et al. | 2016
- 6901
-
Effect of potential barrier height on the carrier transport in InGaAs/GaAsP multi-quantum wells and photoelectric properties of laser diodeDong, Hailiang / Sun, Jing / Ma, Shufang et al. | 2016
- 6331
-
Front cover| 2016
- 6332
-
Inside front cover| 2016
- 6333
-
Contents list| 2016
- 6351
-
Modelling of graphene functionalizationPykal, Martin / Jurečka, Petr / Karlický, František et al. | 2016
- 6373
-
Theory and simulation of DNA-coated colloids: a guide for rational designAngioletti-Uberti, Stefano / Mognetti, Bortolo M. / Frenkel, Daan et al. | 2016
- 6394
-
Enhanced sampling simulation analysis of the structure of lignin in the THF-water miscibility gapThis manuscript has been authored by UT-Battelle, LLC under Contract No. DE-AC05-00OR22725 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide 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: Additional details regarding the replica-exchange simulation, example kinetic fits, and SASA measurements are provided. See DOI: 10.1039/c5cp07088kSmith, Micholas Dean et al. | 2016
- 6394
-
Enhanced sampling simulation analysis of the structure of lignin in the THF–water miscibility gapSmith, Micholas Dean / Petridis, Louka / Cheng, Xiaolin et al. | 2016
- 6399
-
Simultaneous enhancement of magnetic and ferroelectric properties in Dy and Cr co-doped BiFeO3 nanoparticlesMao, Weiwei / Wang, Xingfu / Chu, Liang et al. | 2016
- 6406
-
The origin of luminescence from di[4-(4-diphenylaminophenyl)phenyl]sulfone (DAPSF), a blue light emitter: an X-ray excited optical luminescence (XEOL) and X-ray absorption near edge structure (XANES) studyZhang, Duo / Zhang, Hui / Zhang, Xiaohong et al. | 2016
- 6411
-
Excited state nonadiabatic dynamics of bare and hydrated anionic gold clusters Au3−[H2O]n (n = 0–2)Lisinetskaya, Polina G. / Braun, Christian / Proch, Sebastian et al. | 2016
- 6420
-
Challenging compounds for calculating molecular second hyperpolarizabilities: the triplet state of the trimethylenemethane diradical and two derivativesde Wergifosse, Marc / Champagne, Benoît / Ito, Soichi et al. | 2016
- 6430
-
Donor-driven conformational flexibility in a real-life catalytic dicopper(ii) peroxo complexHoffmann, A. / Herres-Pawlis, S. et al. | 2016
- 6441
-
Morphology-enhanced conductivity in dry ionic liquidsErbaş, Aykut / de la Cruz, Monica Olvera et al. | 2016
- 6451
-
How imperfect mixing and differential diffusion accelerate the rate of nonlinear reactions in microfluidic channelsNiedl, Robert / Berenstein, Igal / Beta, Carsten et al. | 2016
- 6451
-
How imperfect mixing and differential diffusion accelerate the rate of nonlinear reactions in microfluidic channelsElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp00224bNiedl, Robert et al. | 2016
- 6458
-
Water ingress into a casein film quantified using time-resolved neutron imagingMetwalli, E. / Hermes, H. E. / Calzada, E. et al. | 2016
- 6465
-
New insights into the mechanism of interaction between CO2 and polymers from thermodynamic parameters obtained by in situ ATR-FTIR spectroscopyGabrienko, Anton A. / Ewing, Andrew V. / Chibiryaev, Andrey M. et al. | 2016
- 6476
-
Binding properties of pendimethalin herbicide to DNA: multispectroscopic and molecular docking approachesAhmad, Irshad / Ahmad, Ajaz / Ahmad, Masood et al. | 2016
- 6486
-
Heterogeneous dynamics and its length scale in simple ionic liquid models: a computational studyElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cp07368eKim, Soree et al. | 2016
- 6486
-
Heterogeneous dynamics and its length scale in simple ionic liquid models: a computational studyKim, Soree / Park, Sang-Won / Jung, YounJoon et al. | 2016
- 6498
-
Fundamental aspects in surface self-assembly: theoretical implications of molecular polarity and shapeTuca, Emilian / Paci, Irina et al. | 2016
- 6509
-
Two-bit memory and quantized storage phenomenon in conventional MOS structures with double-stacked Pt-NCs in an HfAlO matrixZhou, Guangdong / Wu, Bo / Liu, Xiaoqin et al. | 2016
- 6515
-
Magnetic susceptibility of actinide(iii) cations: an experimental and theoretical studyAutillo, Matthieu / Guerin, Laetitia / Bolvin, Hélène et al. | 2016
- 6515
-
Magnetic susceptibility of actinide(iii) cations: an experimental and theoretical studyElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cp07456hAutillo, Matthieu et al. | 2016
- 6526
-
The effect of sequence on the ionization of guanine in DNAChakraborty, Rahul / Ghosh, Debashree et al. | 2016
- 6526
-
The effect of sequence on the ionization of guanine in DNAElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cp07804kChakraborty, Rahul et al. | 2016
- 6534
-
Spin–orbit coupling effects on electronic structures in stanene nanoribbonsXiong, Wenqi / Xia, Congxin / Peng, Yuting et al. | 2016
- 6541
-
Addition of low concentrations of an ionic liquid to a base oil reduces friction over multiple length scales: a combined nano- and macrotribology investigationElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cp07061aLi, Hua et al. | 2016
- 6541
-
Addition of low concentrations of an ionic liquid to a base oil reduces friction over multiple length scales: a combined nano- and macrotribology investigationLi, Hua / Somers, Anthony E. / Howlett, Patrick C. et al. | 2016
- 6548
-
The promotional effect of surface defects on the catalytic performance of supported nickel-based catalystsElectronic supplementary information (ESI) available: Raman spectra of samples, main reaction pathways in the hydrogenation of o-CNB; TEM images of NiAl-2 and Ni/TiO2 samples; time courses of hydrogenation over different NiTi-x catalysts at different temperatures; concentration-time curves for hydrogenation over different NiTi-x catalysts at different temperatures; recycling tests of the NiTi-2 catalyst in the hydrogenation of o-CNB. See DOI: 10.1039/c5cp07371eLi, Yizhen et al. | 2016
- 6548
-
The promotional effect of surface defects on the catalytic performance of supported nickel-based catalystsLi, Yizhen / Yu, Jiaying / Li, Wei et al. | 2016
- 6559
-
Predictions of the physicochemical properties of amino acid side chain analogs using molecular simulationAhmed, Alauddin / Sandler, Stanley I. et al. | 2016
- 6559
-
Predictions of the physicochemical properties of amino acid side chain analogs using molecular simulationElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cp05393eAhmed, Alauddin et al. | 2016
- 6569
-
Magneto-thermally activated spin-state transition in La0.95Ca0.05CoO3: magnetically-tunable dipolar glass and giant magneto-electricityPandey, Suchita / Kumar, Jitender / Awasthi, A. M. et al. | 2016
- 6587
-
Activated mesoporous carbon nanofibers fabricated using water etching-assisted templating for high-performance electrochemical capacitorsElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp00035eAn, Geon-Hyoung et al. | 2016
- 6587
-
Activated mesoporous carbon nanofibers fabricated using water etching-assisted templating for high-performance electrochemical capacitorsAn, Geon-Hyoung / Koo, Bon-Ryul / Ahn, Hyo-Jin et al. | 2016
- 6595
-
Biophysical evaluation of protein structural flexibility for ligand biorecognition in solid solutionDing, Fei / Peng, Wei et al. | 2016
- 6618
-
Interaction of the ionic liquid [BMP][TFSA] with rutile TiO2(110) and coadsorbed lithiumElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cp07433aUhl, Benedikt et al. | 2016
- 6618
-
Interaction of the ionic liquid [BMP][TFSA] with rutile TiO2(110) and coadsorbed lithiumUhl, Benedikt / Hekmatfar, Maral / Buchner, Florian et al. | 2016
- 6637
-
Thioxanthone in apolar solvents: ultrafast internal conversion precedes fast intersystem crossingMundt, Ramona / Villnow, Torben / Ziegenbein, Christian Torre et al. | 2016
- 6648
-
Alcohols at the aqueous surface: chain length and isomer effectsElectronic supplementary information (ESI) available: Fig. S1. Change of binding energy splitting, Table S1. Ns,max values, Table S2. csurface in mol m−2. See DOI: 10.1039/c5cp06463eWalz, M.-M et al. | 2016
- 6648
-
Alcohols at the aqueous surface: chain length and isomer effectsWalz, M.-M. / Werner, J. / Ekholm, V. et al. | 2016
- 6657
-
Combined NMR and molecular dynamics modeling study of transport properties in sulfonamide based deep eutectic lithium electrolytes: LiTFSI based binary systemsPauric, Allen D. / Halalay, Ion C. / Goward, Gillian R. et al. | 2016
- 6657
-
Combined NMR and molecular dynamics modeling study of transport properties in sulfonamide based deep eutectic lithium electrolytes: LiTFSI based binary systemsElectronic supplementary information: Fig. S-1 thorough S-4 display the volume integrals G(R), for the lithium-nitrogen (Fig. S-1 and S-2) and lithium-oxygen interactions. They provide further detail to the discussion of the coordination environments surrounding the lithium cations. See DOI: 10.1039/c5cp05811bPauric, Allen D et al. | 2016
- 6668
-
Cyanophenyl vs. pyridine substituent: impact on the adlayer structure and formation on HOPG and Au(111)Dai, Y. / Eggers, B. / Metzler, M. et al. | 2016
- 6676
-
Global optimization of small bimetallic Pd–Co binary nanoalloy clusters: a genetic algorithm approach at the DFT levelAslan, Mikail / Davis, Jack B. A. / Johnston, Roy L. et al. | 2016
- 6676
-
Global optimization of small bimetallic Pd-Co binary nanoalloy clusters: a genetic algorithm approach at the DFT levelElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp00342gAslan, Mikail et al. | 2016
- 6683
-
Spectroscopic properties and location of the Ce3+ energy levels in Y3Al2Ga3O12 and Y3Ga5O12 at ambient and high hydrostatic pressureMahlik, S. / Lazarowska, A. / Ueda, J. et al. | 2016
- 6691
-
Effects of temperature, salt concentration, and the protonation state on the dynamics and hydrogen-bond interactions of polyelectrolyte multilayers on lipid membranesLee, Hwankyu et al. | 2016
- 6701
-
Synthesis and spectral measurements of sulphonated graphene: some anomalous observationsMaiti, Susmita / Kundu, Somashree / Ghosh, Debasmita et al. | 2016
- 6706
-
Oxygen vacancies as active sites for H2S dissociation on the rutile TiO2(110) surface: a first-principles studyWang, Fang / Wei, Shiqian / Zhang, Zhi et al. | 2016
- 6713
-
Indented Cu2MoS4 nanosheets with enhanced electrocatalytic and photocatalytic activities realized through edge engineeringChen, Bang-Bao / Ma, De-Kun / Ke, Qing-Ping et al. | 2016
- 6713
-
Indented Cu2MoS4 nanosheets with enhanced electrocatalytic and photocatalytic activities realized through edge engineeringElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cp07900dChen, Bang-Bao et al. | 2016
- 6722
-
Etching of electrodeposited Cu2O films using ammonia solution for photovoltaic applicationsElectronic supplementary information (ESI) available: Additional SEM surface topography and cross-sectional images, current density-voltage characteristics, and UV-visible absorption spectra. See DOI: 10.1039/c5cp06385jZhu, Changqiong et al. | 2016
- 6722
-
Etching of electrodeposited Cu2O films using ammonia solution for photovoltaic applicationsZhu, Changqiong / Panzer, Matthew J. et al. | 2016
- 6729
-
Incorrect DFT-GGA predictions of the stability of non-stoichiometric/polar dielectric surfaces: the case of Cu2O(111)Nilius, Nikla / Fedderwitz, Hanna / Groß, Bori et al. | 2016
- 6734
-
An insight to the role of Cr in the process of intrinsic point defects in α-Al2O3Xiang, Xin / Zhang, Guikai / Yang, Feilong et al. | 2016
- 6742
-
A biomimetic molecular switch at work: coupling photoisomerization dynamics to peptide structural rearrangementGarcía-Iriepa, Cristina / Gueye, Moussa / Léonard, Jérémie et al. | 2016
- 6754
-
Theoretical study of interactions of a Li+(CF3SO2)2N− ion pair with CR3(OCR2CR2)nOCR3 (R = H or F)Abroshan, Hadi / Dhumal, Nilesh R. / Shim, Youngseon et al. | 2016
- 6763
-
Carbon dioxide reduction on Ir(111): stable hydrocarbon surface species at near-ambient pressureCorva, Manuel / Feng, Zhijing / Dri, Carlo et al. | 2016
- 6763
-
Carbon dioxide reduction on Ir(111): stable hydrocarbon surface species at near-ambient pressureElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cp07906cCorva, Manuel et al. | 2016
- 6773
-
Computational design of donor-bridge-acceptor systems exhibiting pronounced quantum interference effectsGorczak, Natalie / Renaud, Nicola / Galan, Elena et al. | 2016
- 6773
-
Computational design of donor-bridge-acceptor systems exhibiting pronounced quantum interference effectsElectronic supplementary information (ESI) available: Comparison of the charge transfer character and the effective electronic couplings for two functionals. See DOI: 10.1039/c5cp06728fGorczak, Natalie et al. | 2016
- 6780
-
HSO3Cl: a prototype molecule for studying OH-stretching overtone induced photodissociationYosa Reyes, Juvenal / Brickel, Sebastian / Unke, Oliver T. et al. | 2016
- 6789
-
Photophysical properties of octupolar triazatruxene-based chromophoresElectronic supplementary information (ESI) available: Additional details of solvent effects and spectral properties, the optical structures and molecular orbitals, decomposed transient absorption in selected time delay, and kinetics at selected wavelength from transient absorption spectra. See DOI: 10.1039/c5cp07563gHe, Guiying et al. | 2016
- 6789
-
Photophysical properties of octupolar triazatruxene-based chromophoresHe, Guiying / Shao, Jinjun / Li, Yang et al. | 2016
- 6799
-
Thermodynamic and kinetic studies of LiNi0.5Co0.2Mn0.3O2 as a positive electrode material for Li-ion batteries using first principlesElectronic supplementary information (ESI) available: Details of the computational and experimental methods, Buckingham potential parameters, lattice and structural parameters obtained by atomistic simulation, electronic structure of NCM-523 obtained using PBE+U and PBE+U+D3 methods and changes in average magnetic moments of TMs of NCM-523 as a function of Li concentration. See DOI: 10.1039/c5cp07128cDixit, Mudit et al. | 2016
- 6799
-
Thermodynamic and kinetic studies of LiNi0.5Co0.2Mn0.3O2 as a positive electrode material for Li-ion batteries using first principlesDixit, Mudit / Kosa, Monica / Lavi, Onit Srur et al. | 2016
- 6813
-
Isosteric and fluorescent DNA base pair formed by 4-amino-phthalimide and 2,4-diaminopyrimidine: melting, structure, and THz polar solvation dynamicsDehmel, L. / Berndt, F. / Weinberger, M. et al. | 2016
- 6821
-
Factors affecting the polarity and magnitude of photoresponse of transient photodetectorsReissig, L. / Mori, K. / Treadwell, R. et al. | 2016
- 6831
-
Polarization effects on the interfacial conductivity in LaAlO3/SrTiO3 heterostructures: a first-principles studyElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cp07581eBehtash, Maziar et al. | 2016
- 6831
-
Polarization effects on the interfacial conductivity in LaAlO3/SrTiO3 heterostructures: a first-principles studyBehtash, Maziar / Nazir, Safdar / Wang, Yaqin et al. | 2016
- 6839
-
The effect of the nanosize on surface properties of NiO nanoparticles for the adsorption of Quinolin-65Marei, Nedal N. / Nassar, Nashaat N. / Vitale, Gerardo et al. | 2016
- 6850
-
Molecular simulations of imidazolium-based tricyanomethanide ionic liquids using an optimized classical force fieldVergadou, Niki / Androulaki, Eleni / Hill, Jörg-Rüdiger et al. | 2016
- 6861
-
Intramolecular charge transfer in aminobenzonitriles and tetrafluoro counterparts: fluorescence explained by competition between low-lying excited states and radiationless deactivation. Part I: A mechanistic overview of the parent system ABNElectronic supplementary information (ESI) available: Details on the active space; influence of the number of states averaged on the description of the excited states at GS geometry in ABN; energies and geometries of critical points of secondary importance; and radiationless deactivation in ABN. See DOI: 10.1039/c5cp04690dSegado, Mireia et al. | 2016
- 6861
-
Intramolecular charge transfer in aminobenzonitriles and tetrafluoro counterparts: fluorescence explained by competition between low-lying excited states and radiationless deactivation. Part I: A mechanistic overview of the parent system ABNSegado, Mireia / Gómez, Isabel / Reguero, Mar et al. | 2016
- 6875
-
Intramolecular charge transfer in aminobenzonitriles and tetrafluoro counterparts: fluorescence explained by competition between low lying excited states and radiationless deactivation. Part II: influence of substitution on luminescence patternsSegado, Mireia / Mercier, Yannick / Gómez, Isabel et al. | 2016
- 6875
-
Intramolecular charge transfer in aminobenzonitriles and tetrafluoro counterparts: fluorescence explained by competition between low lying excited states and radiationless deactivation. Part II: influence of substitution on luminescence patternsElectronic supplementary information (ESI) available: Orbitals of the active space; VB-structures of DMABN-4F; geometries of the critical points of the lowest energy PES of ABN-4F and DMABN-4F; profiles of the lowest energy PES of ABN-4F and DMABN-4F along LIIC paths joinning critical points. See DOI: 10.1039/c5cp04693aSegado, Mireia et al. | 2016
- 6885
-
Novel porphyrin-preparation, characterization, and applications in solar energy conversionLu, Jianfeng / Li, Hao / Liu, Shuangshuang et al. | 2016
- 6885
-
Novel porphyrin-preparation, characterization, and applications in solar energy conversionElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cp05658fLu, Jianfeng et al. | 2016
- 6893
-
Dual-doping to suppress cracking in spinel LiMn2O4: a joint theoretical and experimental studyZhang, Zhifeng / Chen, Zhenlian / Wang, Guangjin et al. | 2016
- 6913
-
Understanding the anion–π interactions with tetraoxacalix[2]arene[2]triazineXi, Jinyang / Xu, Xin et al. | 2016
- 6913
-
Understanding the anion-π interactions with tetraoxacalix[2]arene[2]triazineElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cp08065gXi, Jinyang et al. | 2016
- 6925
-
Intramolecular structure and energetics in supercooled water down to 255 KLehmkühler, Felix / Forov, Yury / Büning, Thoma et al. | 2016
- 6931
-
Internal conversion and intersystem crossing in α,β-enones: a combination of electronic structure calculations and dynamics simulationsElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cp06833aCao, Jun et al. | 2016
- 6931
-
Internal conversion and intersystem crossing in α,β-enones: a combination of electronic structure calculations and dynamics simulationsCao, Jun / Xie, Zhi-Zhong et al. | 2016
- 6946
-
Evidence for electrohydrodynamic convection as a source of spontaneous self-ordering in porous anodic alumina filmsElectronic supplementary information (ESI) available: A more detailed set of microscopic analysis data for PAOX samples obtained at all studied electrolyte concentrations and all tested voltages in sequence. See DOI: 10.1039/c5cp07436cPashchanka, Mikhail et al. | 2016
- 6946
-
Evidence for electrohydrodynamic convection as a source of spontaneous self-ordering in porous anodic alumina filmsPashchanka, Mikhail / Schneider, Jörg J. et al. | 2016
- 6954
-
Correction: Graphene-catalyzed photoreduction of dye molecules revealed by graphene enhanced Raman spectroscopyLee, Bora / Kang, Jin Hyoun / Jo, Insu et al. | 2016
- 6955
-
Correction: Miscibility studies of two twist-bend nematic liquid crystal dimers with different average molecular curvatures. A comparison between experimental data and predictions of a Landau mean-field theory for the NTB–N phase transitionLópez, D. O. / Robles-Hernández, B. / Salud, J. et al. | 2016
- 6957
-
Inside back cover| 2016
- 6958
-
Back cover| 2016
-
Factors affecting the polarity and magnitude of photoresponse of transient photodetectorsElectronic supplementary information (ESI) available: Device/measurement specifications, structure/properties of ionic liquids, light intensity dependence and wavelength-dependence of photocurrent, information on data analysis, and waveforms of solid-state devices. See DOI: 10.1039/c6cp00093bReissig, L et al. | 2016
-
The origin of luminescence from di[4-(4-diphenylaminophenyl)phenyl]sulfone (DAPSF), a blue light emitter: an X-ray excited optical luminescence (XEOL) and X-ray absorption near edge structure (XANES) studyElectronic supplementary information (ESI) available: The XEOL spectra of DAPSF excited with C, N and O K-edges as well as photoabsorption cross-section for all element of DAPSF: C, N, O and S. See DOI: 10.1039/c5cp05764gZhang, Duo et al. | 2016
-
Isosteric and fluorescent DNA base pair formed by 4-amino-phthalimide and 2,4-diaminopyrimidine: melting, structure, and THz polar solvation dynamicsElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cp06972fDehmel, L et al. | 2016
-
Fundamental aspects in surface self-assembly: theoretical implications of molecular polarity and shapeElectronic supplementary information (ESI) available: Snapshots and graphics regarding: system size convergence; variation of order parameters and standard deviations; further data on longer tails for model G variations; further data on the fraction of molecules touching the surface. See DOI: 10.1039/c5cp04479kTuca, Emilian et al. | 2016
-
Biophysical evaluation of protein structural flexibility for ligand biorecognition in solid solutionElectronic supplementary information (ESI) available: A short introduction to triphenylmethane, the detailed protocols of time-resolved fluorescence, a site-specific ligand, circular dichroism and molecular modeling of BSA and BSA-triphenylmethane, principles of fluorescence quenching and calculations of recognition ability, the elucidation of time-resolved fluorescence, Stern-Volmer analyses, recognition capacity and stoichiometry, noncovalent bonds, competitive ligand recognition studies as well as conformational stability. See DOI: 10.1039/c5cp07385eDing, Fei et al. | 2016