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Cover Feature: Substituent Effects in π‐Hole Regium Bonding Interactions Between Au(p‐X‐Py)<sub>2</sub> Complexes and Lewis Bases: An ab initio Study (ChemPhysChem 8/2022)
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- ChemPhysChem, 2022, v. 23, n. 8, p. 1, doi. 10.1002/cphc.202200010
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Cover Feature: Substituent Effects in π‐Hole Regium Bonding Interactions Between Au(p‐X‐Py)<sub>2</sub> Complexes and Lewis Bases: An ab initio Study (ChemPhysChem 8/2022).
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- ChemPhysChem, 2022, v. 23, n. 8, p. 1, doi. 10.1002/cphc.202200010
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- Publication type:
- Article
Front Cover: Uncertainty Quantification of Reactivity Scales (ChemPhysChem 8/2022).
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- ChemPhysChem, 2022, v. 23, n. 8, p. 1, doi. 10.1002/cphc.202200197
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Uncertainty Quantification of Reactivity Scales.
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- ChemPhysChem, 2022, v. 23, n. 8, p. 1, doi. 10.1002/cphc.202200195
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Strength and Nature of Host‐Guest Interactions in Metal‐Organic Frameworks from a Quantum‐Chemical Perspective.
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- ChemPhysChem, 2022, v. 23, n. 8, p. 1, doi. 10.1002/cphc.202200098
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Properties of Bulk In‐Pt Intermetallic Compounds in Methanol Steam Reforming.
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- ChemPhysChem, 2022, v. 23, n. 8, p. 1, doi. 10.1002/cphc.202200074
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Uncertainty Quantification of Reactivity Scales**.
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- ChemPhysChem, 2022, v. 23, n. 8, p. 1, doi. 10.1002/cphc.202200061
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Spatial and Electronic Structures of BeB<sub>8</sub> and MgB<sub>8</sub>: How far Does the Analogy Go?
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- ChemPhysChem, 2022, v. 23, n. 8, p. 1, doi. 10.1002/cphc.202200070
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- Article
Exploring AuRh Nanoalloys: A Computational Perspective on the Formation and Physical Properties.
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- ChemPhysChem, 2022, v. 23, n. 8, p. 1, doi. 10.1002/cphc.202200035
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Can Water Act as a Nucleophile in CO Oxidation Catalysed by Mo/Cu CO‐Dehydrogenase? Answers from Theory.
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- ChemPhysChem, 2022, v. 23, n. 8, p. 1, doi. 10.1002/cphc.202200053
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Catalytic Potential of Post‐Transition Metal Doped Graphene‐Based Single‐Atom Catalysts for the CO<sub>2</sub> Electroreduction Reaction.
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- ChemPhysChem, 2022, v. 23, n. 8, p. 1, doi. 10.1002/cphc.202200024
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Semiclassical Trajectory Studies of Reactive and Nonreactive Scattering of OH(A<sup>2</sup>Σ<sup>+</sup>) by H<sub>2</sub> Based on an Improved Full‐Dimensional Ab Initio Diabatic Potential Energy Matrix.
- Published in:
- ChemPhysChem, 2022, v. 23, n. 8, p. 1, doi. 10.1002/cphc.202200039
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- Publication type:
- Article
Substituent Effects in π‐Hole Regium Bonding Interactions Between Au(p‐X‐Py)<sub>2</sub> Complexes and Lewis Bases: An ab initio Study.
- Published in:
- ChemPhysChem, 2022, v. 23, n. 8, p. 1, doi. 10.1002/cphc.202200010
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- Publication type:
- Article
Different Bonding Defects on Dual‐Metal Single‐Atom Electrocatalyst CoZnN<sub>6</sub>(OH) for Oxygen Reduction Reaction.
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- ChemPhysChem, 2022, v. 23, n. 8, p. 1, doi. 10.1002/cphc.202100902
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- Article
Radical‐Enhanced Intersystem Crossing in Perylene‐Oxoverdazyl Radical Dyads.
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- ChemPhysChem, 2022, v. 23, n. 8, p. 1, doi. 10.1002/cphc.202100912
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Theoretical Modeling of the Metal‐Organic Precursors of Anthracene‐Based Covalent Networks on Surfaces.
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- ChemPhysChem, 2022, v. 23, n. 8, p. 1, doi. 10.1002/cphc.202100877
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