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Description Absorbance of probe 3 b+ at 680 nm in the presence of different metal ions (200 μM, blue bars) and after addition of Cu2+ (20 μM, pink bars).
Article Title: Detection of Copper(II) in Water by Methylene Blue Derivatives
Publication Title: ChemPhysChem -
Description Raman spectra of aged bulk and Raney NiOx recorded at open circuit potential (+280 mV vs Ag/AgCl).
Article Title: Accelerated Durability Test for High‐Surface‐Area Oxyhydroxide Nickel Supported on Raney Nickel as Catalyst for the Alkaline Oxygen Evolution Reaction
Publication Title: ChemPhysChem -
Description Franck‐Condon simulations using unscaled CAM‐B3LYP/SNST harmonic vibrational analysis for the cation, X+, and several low Rydberg states of fenchone. The simulations are for cold (10 K) molecules...
Article Title: Experimental and Theoretical Investigation of the 3sp(d) Rydberg States of Fenchone by Polarized Laser Resonance‐Enhanced‐Multiphoton‐Ionization and Fourier Transform VUV Absorption Spectroscopy
Publication Title: ChemPhysChem -
Description Non‐bonded radii for atoms 11–18 (the third row) as a function of pressure. VdW radii near atmospheric pressure equal those of reference [2]. Atomic radii can be displayed at any pressure using the...
Article Title: Non‐Bonded Radii of the Atoms Under Compression
Publication Title: ChemPhysChem -
Description (Left) Linear (solid lines) and excited state absorption (dashed lines) cross sections of heptamethines 1[Br] and 1[B(C6F5)4]. (Right) Kinetics of S1–S5 transition of 1[Br] in DCM and toluene.
Article Title: Impact of Ion‐Pairing Effects on Linear and Nonlinear Photophysical Properties of Polymethine Dyes**
Publication Title: ChemPhysChem -
Description Relative energies with (ZPE) and without (E) zero‐point corrections (in kJ mol−1), rotational constants (in GHz), dipole moment components (in Debye), and dihedral angles (in degree) of the eleven...
Article Title: Sensing the Molecular Structures of Hexan‐2‐one by Internal Rotation and Microwave Spectroscopy
Publication Title: ChemPhysChem -
Description Geometries of the TS of the reaction between 5‐nitobenzisoxazole and methylamine in acetonitrile (A) and in water (B). Relevant partial charges (see the text) are also depicted in red. Distances in...
Article Title: Catalytic Effect of Electric Fields on the Kemp Elimination Reactions with Neutral Bases
Publication Title: ChemPhysChem -
Description Average lengths of the B−B, B−Hb, and B−Ht bonds (in Å) of BxHyz- species (x=1‐12, y=3‐14, z=0‐2)) calculated at the B3LYP‐D2/cc‐pVTZ level of theory.
Article Title: Quantitative Assessment of B−B−B, B−Hb−B, and B−Ht Bonds: From BH3 to B12H122−
Publication Title: ChemPhysChem -
Description A) 8‐Hz selHSQMBC and B) 3‐Hz LR‐selHSQMBC spectra of 1,2,4‐triazolo[1,5‐a]pyrimidine (1) after selective refocusing of the H‐2 proton with a 10 ms Gaussian‐shaped 180° 1H pulse. C) Expansion...
Article Title: LR‐selHSQMBC: Simultaneous Detection and Quantification of Very Weak Long‐Range Heteronuclear NMR Correlations
Publication Title: ChemPhysChem -
Description Effect of G⋅U substitution on inter‐base pair twist. The helicoidal parameters are calculated on the MD in magnesium on a window frame (50–300 ns) on a) the linearized sequences (K1 hairpin in...
Article Title: Electrostatics Explains the Position‐Dependent Effect of G⋅U Wobble Base Pairs on the Affinity of RNA Kissing Complexes
Publication Title: ChemPhysChem -
Description Contribution of the diffusion to the ion‐association kinetics.
Article Title: Effect of Cation Size on Solvation and Association with Superoxide Anion in Aprotic Solvents
Publication Title: ChemPhysChem -
Description Proposed mechanism for the formation of metal‐diazenide intermediate for: a) HIPTN3NMo, b) TPiPrBFe, and c) PNPR1,R2Mo2. The inset displays the suggested generation of protonated metallocenes as...
Article Title: Molecular Catalysts for N2 Reduction: State of the Art, Mechanism, and Challenges
Publication Title: ChemPhysChem -
Description a) Overview STM image obtained after depositing 0.5 ML I6‐HBC onto Au(111) held at 700 K. b) Magnified STM image of the blue‐framed region in panel (a). c) Line scan profile along with the white...
Article Title: Kinetic Control over Morphology of Nanoporous Graphene on Surface
Publication Title: ChemPhysChem -
Description XRD patterns collected from LSF64 after O2 pre‐oxidation (black curve), H2 pre‐treatment (red curve) and CO pre‐treatment (violett curve). Reflexes assigned to metallic Fe are marked by arrows. The...
Article Title: CO2 Reduction on the Pre‐reduced Mixed Ionic–Electronic Conducting Perovskites La0.6Sr‐0.4FeO3‐δ and SrTi0.7Fe0.3O3‐δ
Publication Title: ChemPhysChem -
Description Mean mesopore diameters and porosity values for mesoporous Y zeolite determined by different methods.
Article Title: Complex Pore Structure of Mesoporous Zeolites: Unambiguous TEM Imaging Using Platinum Tracking
Publication Title: ChemPhysChem -
Description Twist angles (ϕ ) and conformations of n,n′‐bpe in H‐bonded cocrystals.
Article Title: Halogen versus Hydrogen Bonding in Binary Cocrystals: Novel Conformation a Coformer with [2+2] Photoreactivity of Criss‐Crossed C=C Bonds
Publication Title: ChemPhysChem -
Description Selected MP2/6‐311++G(d,p) parameters for the optimized Cs structures of the H2X…YF (X=O, S, Se; Y=F, Cl, H) complexes. These parameters include the counterpoise‐corrected interaction energies...
Article Title: A Computational Study of Chalcogen‐containing H2X…YF and (CH3)2X…YF (X=O, S, Se; Y=F, Cl, H) and Pnicogen‐containing H3X′…YF and (CH3)3X′…YF (X′=N, P, As) Complexes
Publication Title: ChemPhysChem -
Description Variation of the specific surface area versus heating temperature obtained for Th0.92Y0.08O1.96⋅n H2O.
Article Title: Synthesis and Direct Sintering of Nanosized (MIV,MIII)O2‐x Hydrated Oxides as Electrolyte Ceramics
Publication Title: ChemPhysChem -
Description The energy dispersive analysis spectrum (TEM‐EDX) corresponding to synthesized nickel nanowires.
Article Title: Oriented Nickel Nanonetworks and Their Submicron Fibres as a Basis for a Transparent Electrically Conductive Coating
Publication Title: ChemPhysChem -
Description Table
Article Title: Experimental Evidence of CO2 Photoreduction Activity of SnO2 Nanoparticles
Publication Title: ChemPhysChem -
Description Comparison of the RSD of the gravimetric excess capacity for Sample 1, Sample 2, and a select set of data taken from a 2009 round robin study.
Article Title: An International Laboratory Comparison Study of Volumetric and Gravimetric Hydrogen Adsorption Measurements
Publication Title: ChemPhysChem -
Description Molecular structure of model compounds 3 and 4.
Article Title: Photoinduced Energy‐ and Electron‐Transfer Processes in a Side‐to‐Face RuII‐Porphyrin/Perylene‐bisimide Array
Publication Title: ChemPhysChem -
Description (a) The four regions of attractive intermolecular interactions for TPA‐TRZ. (b) The interactions are more complicated consisting of interactions between 1,3,5‐triazine‐phenyl and...
Article Title: Effect of Bulky Functional Groups on Donor and Acceptor Interactions and their Photoluminescence Properties
Publication Title: ChemPhysChem -
Description Table
Article Title: Detection of Copper(II) in Water by Methylene Blue Derivatives
Publication Title: ChemPhysChem -
Description EPR spectra of menasemiquinone radicals without (dashed trace) or with 2H‐labeled methyl group (solid trace) stabilized in NarGHI‐enriched membranes from E. coli. Experimental conditions: sample...
Article Title: Probing the Menasemiquinone Binding Mode to Nitrate Reductase A by Selective 2H and 15N Labeling, HYSCORE Spectroscopy, and DFT Modeling
Publication Title: ChemPhysChem -
Description The process for synthesis of ellipsoidal microcapsules (used with permission from[179])
Article Title: Non‐Fluorinated Polymer Composite Proton Exchange Membranes for Fuel Cell Applications – A Review
Publication Title: ChemPhysChem -
Description Plot of the wavenumber of the high‐frequency mode corresponding to specie adsorbed on Pt (111) without nickel (black) and containing nickel in the solution (red) versus the potential (RHE) at pH=5....
Article Title: Interfacial Study of Nickel‐Modified Pt(111) Surfaces in Phosphate‐Containing Solutions: Effect on the Hydrogen Evolution Reaction
Publication Title: ChemPhysChem -
Description Calculated reactivity indices of stannylone Sn1 a–Sn1 i and stannylene Sn2 a–Sn2 c complexes: chemical hardness η [eV], local softness s−, condensed on the Sn atom, s−(Sn) [eV−1 au], global...
Article Title: Reactivity of Dicoordinated Stannylones (Sn0) versus Stannylenes (SnII): An Investigation Using DFT‐Based Reactivity Indices
Publication Title: ChemPhysChem -
Description AL FRESCO mixing incorporated within the standard 2D 13C homonuclear correlation spectroscopy scheme. AL FRESCO employs a phase‐modulated linear frequency chirped pulse or a train of chirped pulses...
Article Title: An Efficient, Robust New Scheme for Establishing Broadband Homonuclear Correlations in Biomolecular Solid State NMR
Publication Title: ChemPhysChem -
Description Intermolecular distances (R) in the a and b ternary complexes, and their change (▵R) relative to the dimer, all values in Å.
Article Title: Tuning the Competition between Hydrogen and Tetrel Bonds by a Magnesium Bond
Publication Title: ChemPhysChem