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Publicly Available Published by De Gruyter (O) April 21, 2016

Frontmatter

From the journal Zeitschrift für Physikalische Chemie
https://doi.org/10.1515/zpch-2016-frontmatter5-7
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Published Online: 2016-4-21
Published in Print: 2016-5-28

©2016 Walter de Gruyter Berlin/Boston

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Zeitschrift für Physikalische Chemie
Zeitschrift für Physikalische Chemie
Volume 230 Issue 5-7
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Journal and Issue

Articles in the same Issue

Frontmatter
Preface
Congratulations to Michael Springborg
Fourier Space Uncoupled Hartree–Fock Polarizabilities of One-Dimensionally Periodic Systems. Polyethylene and Polysilane Revisited
Construction of Constrained Dipole Oscillator Strength Distributions
Incremental DF-LCCSD(T) Calculations for a Water Molecule Inside and Outside Armchair Carbon Nanotubes
An Efficient Unrestricted PCM-Elongation Method for Large High-Spin Polymer/Dendrimer Systems
Variable van der Waals Radii Derived From a Hybrid Gaussian Charge Distribution Model for Continuum-Solvent Electrostatic Calculations
Natural Extension of Hartree–Fock Through Extremal 1-Fermion Information: Overview and Application to the Lithium Atom
Direct Piezoelectric Tensor of 3D Periodic Systems through a Coupled Perturbed Hartree–Fock/Kohn–Sham Method
Intensive Atomization Energy: Re-Thinking a Metric for Electronic Structure Theory Methods
The VES Hypothesis and Protein Conformational Changes
Understanding the Electronic Structure of Graphene Quantum Dot-Fullerene Nanohybrids for Photovoltaic Applications
A First-Principles Study of Metal-Decorated Graphene Nanoribbons for Hydrogen Storage
Defect Effects on the Interfacial Interactions between a (5, 5) Carbon Nanotube and an Al (111) Surface
Structural Insight into Self Assembly of Sophorolipids: A Molecular Dynamics Simulation Study
The Role of Mutations at the Side Door on the Thermal Stability and Structural Flexibility of the pnbCE Enzyme
Electric (Hyper) Polarizability of the Hypofluorous Acid (HOF) from High-Level ab initio Calculations with Especially Designed Purpose-Oriented Basis Sets
Conformational and Vibrational Analysis of 2-, 3- and 4-Pyridinecarbonyl Chloride Using DFT
Spectral Properties of α and β L Rhamno-Indigo Molecules and Activities Prediction Through NBO Analysis. A DFT Study
Solid State Structure Prediction Through DFT Calculations and 13C NMR Measurements: Case Study of Spiro-2,4-dithiohydantoins
Eu2+-Containing Luminescent Perovskite-Type Hydrides Studied by Electron Paramagnetic Resonance
Mn Adsorption on the GaAs(111)–(2×2)B Surface: First Principles Studies
Charge and Compositional Effects on the 2D–3D Transition in Octameric AgAu Clusters
Diversity Characterization of Binary Clusters by Means of a Generalized Distance
First Principle Investigation of (Bi2O3)n Clusters With n = 6 − 9
The Role of Aluminum Substitution on the Stability of Substituted Polyhedral Oligomeric Silsesquioxanes
Ab-Initio Investigation of Nowotny Chimney Ladder Silicide Os2Si3 Using the Modified BJ Potential
Surface Plasmon Assisted Two-Photon Ionization of Noble and Alkali Metal Clusters
Temperature Dependence of Stability of Copper Clusters
Detecting and Quantifying Geometric Features in Large Series of Cluster Structures
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