Works matching IS 09429352 AND DT 2016 AND VI 230 AND IP 5-7
Results: 30
Eu<sup>2+</sup>-Containing Luminescent Perovskite-Type Hydrides Studied by Electron Paramagnetic Resonance.
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- Zeitschrift für Physikalische Chemie, 2016, v. 230, n. 5-7, p. 931, doi. 10.1515/zpch-2015-0690
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Construction of Constrained Dipole Oscillator Strength Distributions.
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- Zeitschrift für Physikalische Chemie, 2016, v. 230, n. 5-7, p. 633, doi. 10.1515/zpch-2015-0693
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Understanding the Electronic Structure of Graphene Quantum Dot-Fullerene Nanohybrids for Photovoltaic Applications.
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- Zeitschrift für Physikalische Chemie, 2016, v. 230, n. 5-7, p. 777, doi. 10.1515/zpch-2015-0697
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Conformational and Vibrational Analysis of 2-, 3- and 4-Pyridinecarbonyl Chloride Using DFT.
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- Zeitschrift für Physikalische Chemie, 2016, v. 230, n. 5-7, p. 867, doi. 10.1515/zpch-2015-0700
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Direct Piezoelectric Tensor of 3D Periodic Systems through a Coupled Perturbed Hartree-Fock/Kohn-Sham Method.
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- Zeitschrift für Physikalische Chemie, 2016, v. 230, n. 5-7, p. 719, doi. 10.1515/zpch-2015-0701
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Defect Effects on the Interfacial Interactions between a (5, 5) Carbon Nanotube and an Al (111) Surface.
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- Zeitschrift für Physikalische Chemie, 2016, v. 230, n. 5-7, p. 809, doi. 10.1515/zpch-2015-0702
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Mn Adsorption on the GaAs(111)-(2×2)B Surface: First Principles Studies.
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- Zeitschrift für Physikalische Chemie, 2016, v. 230, n. 5-7, p. 943, doi. 10.1515/zpch-2015-0705
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The Role of Aluminum Substitution on the Stability of Substituted Polyhedral Oligomeric Silsesquioxanes.
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- Zeitschrift für Physikalische Chemie, 2016, v. 230, n. 5-7, p. 1005, doi. 10.1515/zpch-2015-0706
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First Principle Investigation of (Bi<sub>2</sub>O<sub>3</sub>)<sub> n</sub> Clusters With n = 6 − 9.
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- Zeitschrift für Physikalische Chemie, 2016, v. 230, n. 5-7, p. 991, doi. 10.1515/zpch-2015-0707
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The Role of Mutations at the Side Door on the Thermal Stability and Structural Flexibility of the pnbCE Enzyme.
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- Zeitschrift für Physikalische Chemie, 2016, v. 230, n. 5-7, p. 837, doi. 10.1515/zpch-2015-0708
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Spectral Properties of α and β L Rhamno-Indigo Molecules and Activities Prediction Through NBO Analysis. A DFT Study.
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- Zeitschrift für Physikalische Chemie, 2016, v. 230, n. 5-7, p. 883, doi. 10.1515/zpch-2015-0709
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Solid State Structure Prediction Through DFT Calculations and <sup>13</sup>C NMR Measurements: Case Study of Spiro-2,4-dithiohydantoins.
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- Zeitschrift für Physikalische Chemie, 2016, v. 230, n. 5-7, p. 909, doi. 10.1515/zpch-2015-0710
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Ab-Initio Investigation of Nowotny Chimney Ladder Silicide Os<sub>2</sub>Si<sub>3</sub> Using the Modified BJ Potential.
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- Zeitschrift für Physikalische Chemie, 2016, v. 230, n. 5-7, p. 1015, doi. 10.1515/zpch-2015-0711
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Intensive Atomization Energy: Re-Thinking a Metric for Electronic Structure Theory Methods.
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- Zeitschrift für Physikalische Chemie, 2016, v. 230, n. 5-7, p. 737, doi. 10.1515/zpch-2015-0713
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The VES Hypothesis and Protein Conformational Changes.
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- Zeitschrift für Physikalische Chemie, 2016, v. 230, n. 5-7, p. 743, doi. 10.1515/zpch-2015-0714
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Diversity Characterization of Binary Clusters by Means of a Generalized Distance.
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- Zeitschrift für Physikalische Chemie, 2016, v. 230, n. 5-7, p. 977, doi. 10.1515/zpch-2015-0716
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Structural Insight into Self Assembly of Sophorolipids: A Molecular Dynamics Simulation Study.
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- Zeitschrift für Physikalische Chemie, 2016, v. 230, n. 5-7, p. 819, doi. 10.1515/zpch-2015-0719
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Charge and Compositional Effects on the 2D-3D Transition in Octameric AgAu Clusters.
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- Zeitschrift für Physikalische Chemie, 2016, v. 230, n. 5-7, p. 955, doi. 10.1515/zpch-2015-0721
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An Efficient Unrestricted PCM-Elongation Method for Large High-Spin Polymer/Dendrimer Systems.
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- Zeitschrift für Physikalische Chemie, 2016, v. 230, n. 5-7, p. 667, doi. 10.1515/zpch-2015-0722
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Surface Plasmon Assisted Two-Photon Ionization of Noble and Alkali Metal Clusters.
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- Zeitschrift für Physikalische Chemie, 2016, v. 230, n. 5-7, p. 1029, doi. 10.1515/zpch-2015-0731
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Natural Extension of Hartree-Fock Through Extremal 1-Fermion Information: Overview and Application to the Lithium Atom.
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- Zeitschrift für Physikalische Chemie, 2016, v. 230, n. 5-7, p. 703, doi. 10.1515/zpch-2015-0732
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Temperature Dependence of Stability of Copper Clusters.
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- Zeitschrift für Physikalische Chemie, 2016, v. 230, n. 5-7, p. 1037, doi. 10.1515/zpch-2015-0735
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Incremental DF-LCCSD(T) Calculations for a Water Molecule Inside and Outside Armchair Carbon Nanotubes.
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- Zeitschrift für Physikalische Chemie, 2016, v. 230, n. 5-7, p. 651, doi. 10.1515/zpch-2015-0736
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Electric (Hyper) Polarizability of the Hypofluorous Acid (HOF) from High-Level ab initio Calculations with Especially Designed Purpose-Oriented Basis Sets.
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- Zeitschrift für Physikalische Chemie, 2016, v. 230, n. 5-7, p. 851, doi. 10.1515/zpch-2015-0739
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Fourier Space Uncoupled Hartree-Fock Polarizabilities of One-Dimensionally Periodic Systems. Polyethylene and Polysilane Revisited.
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- Zeitschrift für Physikalische Chemie, 2016, v. 230, n. 5-7, p. 589, doi. 10.1515/zpch-2015-0741
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A First-Principles Study of Metal-Decorated Graphene Nanoribbons for Hydrogen Storage.
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- Zeitschrift für Physikalische Chemie, 2016, v. 230, n. 5-7, p. 791, doi. 10.1515/zpch-2015-0742
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Detecting and Quantifying Geometric Features in Large Series of Cluster Structures.
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- Zeitschrift für Physikalische Chemie, 2016, v. 230, n. 5-7, p. 1057, doi. 10.1515/zpch-2015-0743
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Variable van der Waals Radii Derived From a Hybrid Gaussian Charge Distribution Model for Continuum-Solvent Electrostatic Calculations.
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- Zeitschrift für Physikalische Chemie, 2016, v. 230, n. 5-7, p. 681, doi. 10.1515/zpch-2015-0746
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Congratulations to Michael Springborg.
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- Zeitschrift für Physikalische Chemie, 2016, v. 230, n. 5-7, p. 587, doi. 10.1515/zpch-2016-5000
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Frontmatter.
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- Zeitschrift für Physikalische Chemie, 2016, v. 230, n. 5-7, p. i, doi. 10.1515/zpch-2016-frontmatter5-7
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- Article