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Papers matching “atomic orbitals” 93

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The obliquity and atmosphere of the ultra-hot Jupiter TOI-1431b (MASCARA-5b): A misaligned orbit and no signs of atomic or molecular absorptions
2021 Astronomy and Astrophysics article Physics and Astronomy Stellar, planetary, and galactic studies Open access

M. Stangret, Ε. Πάλλη, N. Casasayas-Barris, M. Oshagh, Aaron Bello-Arufe, R. Luque, +18 more

25

citations
Minimum atomic parameter basis sets for elements 1–54 in a Hartree–Fock setting
2021 International Journal of Quantum Chemistry article Physics and Astronomy Advanced Chemical Physics Studies Open access

Peter Reinhardt, Ilya Popov, Andrei L. Tchougréeff

2

citations
Spin, atomic, and interatomic orbital magnetism induced by 3d nanostructures deposited on transition metal surfaces
2020 Physical Review Materials article Physics and Astronomy Magnetic properties of thin films Open access

4

citations
Gravitational wave measurement in the mid-band with atom interferometers
2024 Journal of Cosmology and Astroparticle Physics article Physics and Astronomy Pulsars and Gravitational Waves Research Open access

Sebastian Baum, Zachary Bogorad, Peter W. Graham

9

citations
LOBSTER : Local orbital projections, atomic charges, and chemical‐bonding analysis from projector‐augmented‐wave‐based density‐functional theory
2020 Journal of Computational Chemistry article Physics and Astronomy Advanced Chemical Physics Studies Open access

Ryky Nelson, Christina Ertural, Janine George, Volker L. Deringer, Geoffroy Hautier, Richard Dronskowski

1,585

citations
Generalization of Intrinsic Orbitals to Kramers-Paired Quaternion Spinors, Molecular Fragments, and Valence Virtual Spinors
2021 Journal of Chemical Theory and Computation article Physics and Astronomy Advanced Chemical Physics Studies Open access

Bruno Senjean, Souloke Sen, Michal Repiský, Gerald Knizia, Lucas Visscher

39

citations
Electronic and spin-orbit properties of h -BN encapsulated bilayer graphene
2023 Physical review. B./Physical review. B article Materials Science Graphene research and applications

Klaus Zollner, Eike Icking, Jaroslav Fabian

2

citations
Electronic and Spin-Orbit Properties of hBN Encapsulated Bilayer Graphene
2023 RWTH Publications (RWTH Aachen) article Materials Science Graphene research and applications Open access

Klaus Zollner, Eike Icking, Jaroslav Fabian

0

citations
Electronic structure, spin-orbit interaction, and electron-phonon coupling of triangular adatom lattices on semiconductor substrates
2025 Physical review. B./Physical review. B article Physics and Astronomy Surface and Thin Film Phenomena Open access

Matthew Bunney, Domenico Di Sante, Stephan Rachel

3

citations
How the Chalcogen Atom Size Dictates the Hydrogen‐Bond Donor Capability of Carboxamides, Thioamides, and Selenoamides
2022 Chemistry - A European Journal article Chemistry Crystallography and molecular interactions Open access

Celine Nieuwland, Célia Fonseca Guerra

35

citations
d- and s-orbital populations in the d block: unbound atoms in physical vacuum versus chemical elements in condensed matter. A Dronskowski-population analysis
2021 Zeitschrift für Naturforschung B article Physics and Astronomy Advanced Chemical Physics Studies

Kaixuan Chen, Wan‐Lu Li, W. H. Eugen Schwarz

2

citations
π‐Electron Donation at the Sulfoximidoyl Nitrogen Atom
2025 Angewandte Chemie International Edition article Chemistry Synthesis and Catalytic Reactions Open access

Benjamin J. Statham, Florian F. Mulks, Carsten Bolm

2

citations
π‐Electron Donation at the Sulfoximidoyl Nitrogen Atom
2025 Angewandte Chemie article Chemistry Synthesis and Catalytic Reactions Open access

Benjamin J. Statham, Florian F. Mulks, Carsten Bolm

0

citations
Orbital-based bonding analysis in solids
2025 Chemical Science article Physics and Astronomy Advanced Chemical Physics Studies Open access

Peter C. Müller, Linda S. Reitz, Richard Dronskowski

28

citations
Interpretably learning the critical temperature of superconductors: Electron concentration and feature dimensionality reduction
2024 APL Materials article Materials Science Machine Learning in Materials Science Open access

Ángel Díaz Carral, Martín Roitegui, Maria Fyta

4

citations
Inside Back Cover: The Orbital Origins of Chemical Bonding in Ge−Sb−Te Phase‐Change Materials (Angew. Chem. Int. Ed. 17/2022)
2022 Angewandte Chemie International Edition article Materials Science Phase-change materials and chalcogenides

Jan Hempelmann, Peter C. Müller, Christina Ertural, Richard Dronskowski

0

citations
Solving the Azobenzene Entropy Puzzle: Direct Evidence for Multi-State Reactivity
2022 The Journal of Physical Chemistry Letters article Chemistry Chemical Reactions and Mechanisms

Marc Reimann, Ellen Teichmann, Stefan Hecht, Martin Kaupp

49

citations
Orbitale als Ausgangspunkt der Chemischen Bindung in Ge−Sb−Te‐Phasenwechselmaterialien**
2022 Angewandte Chemie article Materials Science Phase-change materials and chalcogenides Open access

Jan Hempelmann, Peter C. Müller, Christina Ertural, Richard Dronskowski

1

citations
Innenrücktitelbild: Orbitale als Ausgangspunkt der Chemischen Bindung in Ge−Sb−Te‐Phasenwechselmaterialien (Angew. Chem. 17/2022)
2022 Angewandte Chemie article Materials Science Phase-change materials and chalcogenides

Jan Hempelmann, Peter C. Müller, Christina Ertural, Richard Dronskowski

0

citations
State-selective Charge Exchange in the 6.43–42.86 keV u −1 14 N 6 Collision with He
2026 The Astrophysical Journal Supplement Series article Physics and Astronomy Atomic and Molecular Physics Open access

R. B. Zhang, X L Zhu, L. Liu, C. J. Zhang, Y. Zhou, G. Y. Liang, +9 more

0

citations
Not Carbon s–p Hybridization, but Coordination Number Determines C−H and C−C Bond Length
2021 Chemistry - A European Journal article Physics and Astronomy Advanced Chemical Physics Studies Open access

Pascal Vermeeren, Willem‐Jan van Zeist, Trevor A. Hamlin, Célia Fonseca Guerra, F. Matthias Bickelhaupt

34

citations
Large Distortion of Fused Aromatics on Dielectric Interlayers Quantified by Photoemission Orbital Tomography
2022 ACS Nano article Materials Science Electron and X-Ray Spectroscopy Techniques Open access

Philipp Hurdax, Christian S. Kern, Thomas Georg Boné, Anja Haags, Michael Hollerer, Larissa Egger, +11 more

8

citations
Cover Feature: Cooperative Self‐Assembly in Linear Chains Based on Halogen Bonds (ChemPlusChem 6/2021)
2021 ChemPlusChem article Chemistry Crystallography and molecular interactions Open access

Pascal Vermeeren, Lando P. Wolters, Gábor Paragi, Célia Fonseca Guerra

0

citations
Searching for proto-planets with MUSE
2020 Astronomy and Astrophysics article Physics and Astronomy Astrophysics and Star Formation Studies Open access

36

citations
Oxy-Polybrominated Diphenyl Ethers from the Indonesian Marine Sponge, Lamellodysidea herbacea: X-ray, SAR, and Computational Studies
2021 Molecules article Biochemistry, Genetics and Molecular Biology Marine Sponges and Natural Products Open access

Novriyandi Hanif, Trianda Ayuning Tyas, Lestari Hidayati, Fabians Faisal Dinelsa, Dian Provita, Nyimas Ratna Kinnary, +10 more

10

citations