Works matching DE "ORBITAL interaction"
Results: 245
Exohedral Diels‐Alder Reactivity of Endohedral Metallofullerene C<sub>36</sub>.
- Published in:
- Chemistry - A European Journal, 2024, v. 30, n. 58, p. 1, doi. 10.1002/chem.202401568
- By:
- Publication type:
- Article
Aggregation of N‐Heteropolycyclic Aromatic Molecules: The Acridine Dimer and Trimer.
- Published in:
- Chemistry - A European Journal, 2024, v. 30, n. 44, p. 1, doi. 10.1002/chem.202401340
- By:
- Publication type:
- Article
Homochiral and Heterochiral Self‐Sorting Assemblies of Antiaromatic Ni(II) Norcorrole Dimers.
- Published in:
- Chemistry - A European Journal, 2024, v. 30, n. 39, p. 1, doi. 10.1002/chem.202400292
- By:
- Publication type:
- Article
Controlling Diastereoselectivity in Dearomatizing Diels‐Alder Reactions of Nitroarenes with 2‐Trimethylsilyloxycyclohexadiene.
- Published in:
- Chemistry - A European Journal, 2024, v. 30, n. 34, p. 1, doi. 10.1002/chem.202303697
- By:
- Publication type:
- Article
Exploring Spin‐Orbit Effects in a [Cu<sub>6</sub>Tl]<sup>+</sup> Nanocluster Featuring an Uncommon Tl−H Interaction.
- Published in:
- Chemistry - A European Journal, 2024, v. 30, n. 25, p. 1, doi. 10.1002/chem.202400390
- By:
- Publication type:
- Article
Exo‐Selective Diels–Alder Reactions.
- Published in:
- Chemistry - A European Journal, 2024, v. 30, n. 17, p. 1, doi. 10.1002/chem.202304371
- By:
- Publication type:
- Article
Affinity of Telluronium Chalcogen Bond Donors for Lewis Bases in Solution: A Critical Experimental‐Theoretical Joint Study.
- Published in:
- Chemistry - A European Journal, 2024, v. 30, n. 7, p. 1, doi. 10.1002/chem.202302933
- By:
- Publication type:
- Article
Binding Properties of Small Electrophilic Anions [B<sub>6</sub>X<sub>5</sub>]<sup>−</sup> and [B<sub>10</sub>X<sub>9</sub>]<sup>−</sup> (X=Cl, Br, I): Activation of Small Molecules Based on π‐Backbonding.
- Published in:
- Chemistry - A European Journal, 2023, v. 29, n. 72, p. 1, doi. 10.1002/chem.202302247
- By:
- Publication type:
- Article
Xanthene‐Separated 24 π‐Electron Antiaromatic Rosarin Dimer.
- Published in:
- Chemistry - A European Journal, 2023, v. 29, n. 45, p. 1, doi. 10.1002/chem.202301501
- By:
- Publication type:
- Article
Synthesis, Structural Characterization, and Bonding of Molecular Heavier Beryllium Chalcogenides.
- Published in:
- Chemistry - A European Journal, 2023, v. 29, n. 44, p. 1, doi. 10.1002/chem.202301418
- By:
- Publication type:
- Article
High Rates of Quinone‐Alkyne Cycloaddition Reactions are Dictated by Entropic Factors.
- Published in:
- Chemistry - A European Journal, 2023, v. 29, n. 39, p. 1, doi. 10.1002/chem.202300231
- By:
- Publication type:
- Article
Coordination versus Insertion: On the Interaction of 5 d‐Transition Metal Carbonyl Clusters with Silver(I).
- Published in:
- Chemistry - A European Journal, 2023, v. 29, n. 34, p. 1, doi. 10.1002/chem.202300908
- By:
- Publication type:
- Article
Quest of Quadruple Bonding Between Two Main‐Group Atoms in AeB<sup>−</sup> and AeC (Ae=Ca, Sr, Ba) and the Role of d Orbitals of Heavier Alkaline‐Earth Atoms in Covalent Interactions.
- Published in:
- Chemistry - A European Journal, 2023, v. 29, n. 30, p. 1, doi. 10.1002/chem.202300446
- By:
- Publication type:
- Article
Substituent Effects in Bioorthogonal Diels--Alder Reactions of 1,2,4,5-Tetrazines.
- Published in:
- Chemistry - A European Journal, 2023, v. 29, n. 29, p. 1, doi. 10.1002/chem.202300345
- By:
- Publication type:
- Article
Secondary Orbital Effect Involving Fluorine is Responsible for Substrate‐Controlled Diastereodivergence in the Catalyzed syn‐aza‐Henry Reaction of α‐Fluoronitroalkanes.
- Published in:
- Chemistry - A European Journal, 2023, v. 29, n. 24, p. 1, doi. 10.1002/chem.202204066
- By:
- Publication type:
- Article
How Bases Catalyze Diels‐Alder Reactions.
- Published in:
- Chemistry - A European Journal, 2023, v. 29, n. 7, p. 1, doi. 10.1002/chem.202203121
- By:
- Publication type:
- Article
Self‐Passivated Metal Klein Edge of 1T‐Phase Transition Metal Dichalcogenides and the Induced High‐Efficient Hydrogen Evolution Reaction Activity.
- Published in:
- Advanced Functional Materials, 2022, v. 32, n. 49, p. 1, doi. 10.1002/adfm.202208414
- By:
- Publication type:
- Article
Ion spectroscopy in methane activation.
- Published in:
- Mass Spectrometry Reviews, 2022, v. 41, n. 4, p. 513, doi. 10.1002/mas.21698
- By:
- Publication type:
- Article
A millisecond pulsar in a stellar triple system.
- Published in:
- Nature, 2014, v. 505, n. 7484, p. 520, doi. 10.1038/nature12917
- By:
- Publication type:
- Article
Conformational Control and Photophysical Properties of Methylene‐Tethered Bis[(naphthalene‐2‐yl)vinyl]benzenes.
- Published in:
- ChemPhotoChem, 2019, v. 3, n. 8, p. 605, doi. 10.1002/cptc.201900145
- By:
- Publication type:
- Article
Effect of the Silicon Atom on the Electron Density Distribution in the Molecules of Organosilicon 1,2-Hydroxyamines.
- Published in:
- Russian Journal of General Chemistry, 2023, v. 93, n. 11, p. 2764, doi. 10.1134/S1070363223110051
- By:
- Publication type:
- Article
Conformational Properties of Ethane and Its Analogs in Nanotubes.
- Published in:
- Russian Journal of General Chemistry, 2019, v. 89, n. 6, p. 1271, doi. 10.1134/S1070363219060239
- By:
- Publication type:
- Article
Diels–Alder Reaction as an Indicator of Internal and External Factors Influencing the Rate and Equilibrium: Kinetics, Thermochemistry, Catalysis, and High Pressure. A Review.
- Published in:
- Doklady Chemistry, 2021, v. 498, n. 1, p. 67, doi. 10.1134/S0012500821050013
- By:
- Publication type:
- Article
Computational Studies of Molybdenum-Containing Metal–Sulfur and Metal–Hydride Clusters.
- Published in:
- Catalysts (2073-4344), 2024, v. 14, n. 11, p. 816, doi. 10.3390/catal14110816
- By:
- Publication type:
- Article
Effective Removal of Refractory Pollutants through Cinnamic Acid-Modified Wheat Husk Biochar: Experimental and DFT-Based Analysis.
- Published in:
- Catalysts (2073-4344), 2022, v. 12, n. 9, p. N.PAG, doi. 10.3390/catal12091063
- By:
- Publication type:
- Article
Asymmetric gradient orbital interaction of hetero-diatomic active sites for promoting C − C coupling.
- Published in:
- Nature Communications, 2023, v. 14, n. 1, p. 1, doi. 10.1038/s41467-023-39580-5
- By:
- Publication type:
- Article
Correlation between Orbital Hybridizations, Phonon Spectra, and Thermal Properties of Graphene, Germanene, and Plumbene.
- Published in:
- Physica Status Solidi - Rapid Research Letters, 2023, v. 17, n. 5, p. 1, doi. 10.1002/pssr.202200469
- By:
- Publication type:
- Article
Experimental and Theoretical Validation of Room Temperature Intrinsic Ferromagnetism in Cr<sub>3</sub>C<sub>2</sub> Due to Interstitial Carbon Atoms.
- Published in:
- Physica Status Solidi - Rapid Research Letters, 2022, v. 16, n. 11, p. 1, doi. 10.1002/pssr.202200192
- By:
- Publication type:
- Article
Tunable Spin Correlated‐Plasmons Ranging from Infrared to Ultraviolet in Pr<sub>0.6</sub>Sr<sub>0.4</sub>Co<sub>1−x</sub>Mn<sub>x</sub>O<sub>3</sub>.
- Published in:
- Physica Status Solidi - Rapid Research Letters, 2021, v. 15, n. 2, p. 1, doi. 10.1002/pssr.202000257
- By:
- Publication type:
- Article
Barriers to Melt Ascent in the Lithosphere of Io With Applications to Heat Pipe Formation.
- Published in:
- Journal of Geophysical Research. Planets, 2022, v. 127, n. 3, p. 1, doi. 10.1029/2021JE007031
- By:
- Publication type:
- Article
ADSORPTION OF DIBENZOXAZEPINE GAS ON TRANSITION METAL-DOPED SILICON CARBIDE NANOTUBES: A THEORETICAL INVESTIGATION.
- Published in:
- Suranaree Journal of Science & Technology, 2023, v. 30, n. 3, p. 1, doi. 10.55766/sujst-2023-03-e0176
- By:
- Publication type:
- Article
Chalcogen Noncovalent Interactions between Diazines and Sulfur Oxides in Supramolecular Circular Chains.
- Published in:
- International Journal of Molecular Sciences, 2024, v. 25, n. 13, p. 7497, doi. 10.3390/ijms25137497
- By:
- Publication type:
- Article
Unveiling the Nature and Strength of Selenium-Centered Chalcogen Bonds in Binary Complexes of SeO 2 with Oxygen-/Sulfur-Containing Lewis Bases: Insights from Theoretical Calculations.
- Published in:
- International Journal of Molecular Sciences, 2024, v. 25, n. 11, p. 5609, doi. 10.3390/ijms25115609
- By:
- Publication type:
- Article
The Pivotal Distinction between Antagonists' and Agonists' Binding into Dopamine D4 Receptor—MD and FMO/PIEDA Studies.
- Published in:
- International Journal of Molecular Sciences, 2024, v. 25, n. 2, p. 746, doi. 10.3390/ijms25020746
- By:
- Publication type:
- Article
Unravelling the Mechanism and Governing Factors in Lewis Acid and Non-Covalent Diels–Alder Catalysis: Different Perspectives.
- Published in:
- International Journal of Molecular Sciences, 2023, v. 24, n. 5, p. 4938, doi. 10.3390/ijms24054938
- By:
- Publication type:
- Article
Regioselective Cycloaddition of Nitrile Imines to 5-Methylidene-3-phenyl-hydantoin: Synthesis and DFT Calculations.
- Published in:
- International Journal of Molecular Sciences, 2023, v. 24, n. 2, p. 1289, doi. 10.3390/ijms24021289
- By:
- Publication type:
- Article
Orbital control on the timing of oceanic anoxia in the Late Cretaceous.
- Published in:
- Climate of the Past, 2016, v. 12, n. 10, p. 1995, doi. 10.5194/cp-12-1995-2016
- By:
- Publication type:
- Article
Electron Sharing and Anion-π Recognition in Molecular Triangular Prisms.
- Published in:
- Angewandte Chemie, 2013, v. 125, n. 49, p. 13338, doi. 10.1002/ange.201307984
- By:
- Publication type:
- Article
Hubbard U through polaronic defect states.
- Published in:
- NPJ Computational Materials, 2022, v. 8, n. 1, p. 1, doi. 10.1038/s41524-022-00958-6
- By:
- Publication type:
- Article
Geometries, Electronic Structures, Bonding Properties, and Stability Strategy of Endohedral Metallofullerenes TM@C 28 (TM = Sc − , Y − , La − , Ti, Zr, Hf, V + , Nb + , Ta +).
- Published in:
- Inorganics, 2024, v. 12, n. 2, p. 40, doi. 10.3390/inorganics12020040
- By:
- Publication type:
- Article
Theoretical Insight into B–C Chemical Bonding in Closo -Borate [B n H n−1 CH 3 ] 2− (n = 6, 10, 12) and Monocarborane [CB n H n CH 3 ] − (n = 5, 9, 11) Anions.
- Published in:
- Inorganics, 2022, v. 10, n. 11, p. 186, doi. 10.3390/inorganics10110186
- By:
- Publication type:
- Article
Acute ethmoiditis in children with orbital complications.
- Published in:
- ORL.ro, 2016, v. 9, n. 31, p. 55
- By:
- Publication type:
- Article
Microscopic analysis of dipole electric and magnetic strengths in 156Gd.
- Published in:
- European Physical Journal A -- Hadrons & Nuclei, 2024, v. 60, n. 2, p. 1, doi. 10.1140/epja/s10050-024-01251-4
- By:
- Publication type:
- Article
Differential technique for the covariant orbital angular momentum operators.
- Published in:
- European Physical Journal A -- Hadrons & Nuclei, 2018, v. 54, n. 6, p. 1, doi. 10.1140/epja/i2018-12539-9
- By:
- Publication type:
- Article
Spin-related symmetry breaking induced by half-disordered hybridization in Bi<sub>x</sub>Er<sub>2-x</sub>Ru<sub>2</sub>O<sub>7</sub> pyrochlores for acidic oxygen evolution.
- Published in:
- Nature Communications, 2022, v. 13, n. 1, p. 1, doi. 10.1038/s41467-022-31874-4
- By:
- Publication type:
- Article
Doubly linked chiral phenanthrene oligomers for homogeneously π-extended helicenes with large effective conjugation length.
- Published in:
- Nature Communications, 2022, v. 13, n. 1, p. 1, doi. 10.1038/s41467-022-29108-8
- By:
- Publication type:
- Article
Spin-sate reconfiguration induced by alternating magnetic field for efficient oxygen evolution reaction.
- Published in:
- Nature Communications, 2021, v. 12, n. 1, p. 1, doi. 10.1038/s41467-021-25095-4
- By:
- Publication type:
- Article
Nature of Cation‐π Interaction in Mono‐ and Inverted Sandwich Ga(I) Complexes. Insights Into the Ga(I)‐π Features and NMR Patterns from GaCp, GaCp*, [Ga<sub>2</sub>Cp]<sup>+</sup>, and [Ga<sub>2</sub>Cp*]<sup>+</sup>.
- Published in:
- European Journal of Inorganic Chemistry, 2024, v. 27, n. 34, p. 1, doi. 10.1002/ejic.202400400
- By:
- Publication type:
- Article
Nature of Metal–Metal Bond in Group‐V Dinuclear Metallaborane Compounds: Open‐Shell–Open‐Shell Vs Closed‐Shell–Closed‐Shell Interaction.
- Published in:
- European Journal of Inorganic Chemistry, 2024, v. 27, n. 33, p. 1, doi. 10.1002/ejic.202400252
- By:
- Publication type:
- Article
A Joint Study of Experimental and Computational Chemistry to Probe the Effect of Coordination Modes on the Luminescence of Uranyl‐Organic Coordination Polymers.
- Published in:
- European Journal of Inorganic Chemistry, 2023, v. 26, n. 17, p. 1, doi. 10.1002/ejic.202300090
- By:
- Publication type:
- Article