Found: 295
Select item for more details and to access through your institution.
Cover Image.
- Published in:
- Journal of Physical Organic Chemistry, 2024, v. 37, n. 8, p. 1, doi. 10.1002/poc.4535
- By:
- Publication type:
- Article
Addition reaction of azoles to acetone‐d<sub>6</sub>: NMR and computational studies.
- Published in:
- Journal of Physical Organic Chemistry, 2024, v. 37, n. 8, p. 1, doi. 10.1002/poc.4612
- By:
- Publication type:
- Article
Discovering trends in the Lewis acidity of beryllium and magnesium hydrides and fluorides with increasing clusters size.
- Published in:
- Journal of Computational Chemistry, 2024, v. 45, n. 20, p. 1702, doi. 10.1002/jcc.27356
- By:
- Publication type:
- Article
Striking Borane Planarization in the Thermal Rearrangement (η<sup>5</sup>‐C<sub>5</sub>H<sub>5</sub>)Fe(η<sup>3</sup>‐B<sub>5</sub>H<sub>10</sub>)→(η<sup>5</sup>‐C<sub>5</sub>H<sub>5</sub>)Fe(η<sup>5</sup>‐B<sub>5</sub>H<sub>10</sub>)
- Published in:
- Chemistry - A European Journal, 2024, v. 30, n. 40, p. 1, doi. 10.1002/chem.202401536
- By:
- Publication type:
- Article
Understanding the coupling of non-metallic heteroatoms to CO<sub>2</sub> from a Conceptual DFT perspective.
- Published in:
- Journal of Molecular Modeling, 2024, v. 30, n. 7, p. 1, doi. 10.1007/s00894-024-05992-3
- By:
- Publication type:
- Article
An NMR experimental and theoretical study of pyrazagalloles, the gallium analogues of pyrazaboles.
- Published in:
- Canadian Journal of Chemistry, 2024, v. 102, n. 5, p. 343, doi. 10.1139/cjc-2023-0076
- By:
- Publication type:
- Article
An ab Initio Study of High‐Energetic Trioxatriazinane Derivatives: Conformational Analysis, Nitrogen Inversion, Heats of Formation, Dissociation Reaction, and Dimerization.
- Published in:
- ChemPhysChem, 2024, v. 25, n. 7, p. 1, doi. 10.1002/cphc.202400040
- By:
- Publication type:
- Article
Towards 2D Borane Chemistry in Hexagonal Cyclic Compounds.
- Published in:
- ChemPhysChem, 2024, v. 25, n. 7, p. 1, doi. 10.1002/cphc.202300809
- By:
- Publication type:
- Article
A Holistic View of the Interactions between Electron-Deficient Systems: Clustering of Beryllium and Magnesium Hydrides and Halides.
- Published in:
- Molecules, 2023, v. 28, n. 22, p. 7507, doi. 10.3390/molecules28227507
- By:
- Publication type:
- Article
Production of Dihydrogen Using Ammonia Borane as Reagent and Pyrazole as Catalyst.
- Published in:
- ChemPhysChem, 2023, v. 24, n. 17, p. 1, doi. 10.1002/cphc.202300214
- By:
- Publication type:
- Article
Cover Feature: Production of Dihydrogen Using Ammonia Borane as Reagent and Pyrazole as Catalyst (ChemPhysChem 17/2023).
- Published in:
- ChemPhysChem, 2023, v. 24, n. 17, p. 1, doi. 10.1002/cphc.202300542
- By:
- Publication type:
- Article
Borotropy: The Mechanism of Boron Transfer Between Adjacent N‐Atoms of Pyrazol‐1‐yl Rings.
- Published in:
- Helvetica Chimica Acta, 2023, v. 106, n. 9, p. 1, doi. 10.1002/hlca.202300090
- By:
- Publication type:
- Article
Influence of Lewis acids on the symmetric S<sub>N</sub>2 reaction.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2023, v. 142, n. 8, p. 1, doi. 10.1007/s00214-023-03013-9
- By:
- Publication type:
- Article
A theoretical study of the reactivity of pyrazaboles with nitrogen nucleophiles (amines and pyrazoles): the ring-opening mechanism.
- Published in:
- Canadian Journal of Chemistry, 2023, v. 101, n. 1, p. 1, doi. 10.1139/cjc-2022-0175
- By:
- Publication type:
- Article
A theoretical study of dynamic processes observed in trimethylsilyl-1H-pyrazoles: prototropy and silylotropy.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2022, v. 141, n. 12, p. 1, doi. 10.1007/s00214-022-02936-z
- By:
- Publication type:
- Article
Anion complexes of diborane derivatives inserted to benzene.
- Published in:
- International Journal of Quantum Chemistry, 2022, v. 122, n. 22, p. 1, doi. 10.1002/qua.26986
- By:
- Publication type:
- Article
Stand up for Electrostatics: The Disiloxane Case.
- Published in:
- ChemPhysChem, 2022, v. 23, n. 9, p. 1, doi. 10.1002/cphc.202200088
- By:
- Publication type:
- Article
The use of DOSY experiments to determine the solution structures of coinage metal pyrazolates: The case of {[3,5‐(CF<sub>3</sub>)<sub>2</sub>Pz]Ag}<sub>3</sub>.
- Published in:
- Magnetic Resonance in Chemistry, 2022, v. 60, n. 4, p. 442, doi. 10.1002/mrc.5242
- By:
- Publication type:
- Article
A DFT study of the tautomerism of 1H-benzo[de]cinnolines and their protonated forms.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2022, v. 141, n. 4, p. 1, doi. 10.1007/s00214-022-02883-9
- By:
- Publication type:
- Article
1H-Benzo[de]cinnolines: an interesting class of heterocycles.
- Published in:
- ARKIVOC: Online Journal of Organic Chemistry, 2022, v. 2022, p. 200, doi. 10.24820/ark.5550190.p011.747
- By:
- Publication type:
- Article
Anion Complexation Strongly Influences the Reactivity of Octafluorocyclooctatetraene.
- Published in:
- ChemistrySelect, 2021, v. 6, n. 48, p. 13897, doi. 10.1002/slct.202103919
- By:
- Publication type:
- Article
1,2-Dihydro-1,3,2-diazaborinine tautomer as an electron-pair donor in hydrogen-bonded complexes.
- Published in:
- Canadian Journal of Chemistry, 2021, v. 99, n. 12, p. 950, doi. 10.1139/cjc-2021-0072
- By:
- Publication type:
- Article
Clustering of Electron Deficient B‐ and Be‐Containing Analogues: In the Fight for Tetracoordination, Beryllium Takes the Lead.
- Published in:
- European Journal of Inorganic Chemistry, 2021, v. 2021, n. 42, p. 4393, doi. 10.1002/ejic.202100737
- By:
- Publication type:
- Article
Front Cover: Reactivity of Coinage Metal Hydrides for the Production of H<sub>2</sub> Molecules (ChemistryOpen 8/2021).
- Published in:
- ChemistryOpen, 2021, v. 10, n. 8, p. 720, doi. 10.1002/open.202100174
- By:
- Publication type:
- Article
Reactivity of Coinage Metal Hydrides for the Production of H<sub>2</sub> Molecules.
- Published in:
- ChemistryOpen, 2021, v. 10, n. 8, p. 722, doi. 10.1002/open.202100173
- By:
- Publication type:
- Article
Reactivity of Coinage Metal Hydrides for the Production of H<sub>2</sub> Molecules.
- Published in:
- ChemistryOpen, 2021, v. 10, n. 8, p. 724, doi. 10.1002/open.202100108
- By:
- Publication type:
- Article
Alkylammonium Cation Affinities of Nitrogenated Organobases: The Roles of Hydrogen Bonding and Proton Transfer.
- Published in:
- ChemPlusChem, 2021, v. 86, n. 8, p. 1097, doi. 10.1002/cplu.202100235
- By:
- Publication type:
- Article
Perturbing the O–H ... O Hydrogen Bond in 1-oxo-3-hydroxy-2-propene.
- Published in:
- Molecules, 2021, v. 26, n. 11, p. 3086, doi. 10.3390/molecules26113086
- By:
- Publication type:
- Article
Large Stabilization Effects by Intramolecular Beryllium Bonds in Ortho -Benzene Derivatives.
- Published in:
- Molecules, 2021, v. 26, n. 11, p. 3401, doi. 10.3390/molecules26113401
- By:
- Publication type:
- Article
Conformational analysis of 2,5‐diaryl‐4‐methyl‐2,4‐dihydro‐3H‐1,2,4‐triazol‐3‐ones: Multinuclear NMR and DFT calculations.
- Published in:
- Journal of Heterocyclic Chemistry, 2021, v. 58, n. 5, p. 1130, doi. 10.1002/jhet.4243
- By:
- Publication type:
- Article
Hückeloid model for planar boranes.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2021, v. 140, n. 5, p. 1, doi. 10.1007/s00214-021-02752-x
- By:
- Publication type:
- Article
A Density Functional Theory Study of Optical Rotation in Some Aziridine and Oxirane Derivatives.
- Published in:
- ChemPhysChem, 2021, v. 22, n. 8, p. 764, doi. 10.1002/cphc.202001010
- By:
- Publication type:
- Article
Carboranes as Lewis Acids: Tetrel Bonding in CB 11 H 11 Carbonium Ylide.
- Published in:
- Crystals (2073-4352), 2021, v. 11, n. 4, p. 391, doi. 10.3390/cryst11040391
- By:
- Publication type:
- Article
A theoretical study of inversion barriers and NMR chemical shifts of 3‐pyrazolines (2,3‐dihydro‐1H‐pyrazoles).
- Published in:
- Journal of Heterocyclic Chemistry, 2021, v. 58, n. 4, p. 1015, doi. 10.1002/jhet.4235
- By:
- Publication type:
- Article
A structural analysis of 2,5‐diaryl‐4H‐2,4‐dihydro‐3H‐1,2,4‐triazol‐3‐ones: NMR in the solid state, X‐ray crystallography, and GIPAW calculations.
- Published in:
- Magnetic Resonance in Chemistry, 2021, v. 59, n. 4, p. 423, doi. 10.1002/mrc.5107
- By:
- Publication type:
- Article
A static and dynamic NMR study of 10‐hydrazino‐BODIPY.
- Published in:
- Magnetic Resonance in Chemistry, 2021, v. 59, n. 4, p. 454, doi. 10.1002/mrc.5118
- By:
- Publication type:
- Article
3-Pyrazolines (2,3-dihydro-1H-pyrazoles): synthesis, reactivity, and physical and biological properties.
- Published in:
- ARKIVOC: Online Journal of Organic Chemistry, 2021, v. 2021, p. 75, doi. 10.24820/ark.5550190.p011.521
- By:
- Publication type:
- Article
The Importance of Strain (Preorganization) in Beryllium Bonds.
- Published in:
- Molecules, 2020, v. 25, n. 24, p. 5876, doi. 10.3390/molecules25245876
- By:
- Publication type:
- Article
From Very Strong to Inexistent Be−Be Bonds in the Interactions of Be<sub>2</sub> with π‐Systems.
- Published in:
- ChemPhysChem, 2020, v. 21, n. 24, p. 2701, doi. 10.1002/cphc.202000412
- By:
- Publication type:
- Article
Rivalry between Regium and Hydrogen Bonds Established within Diatomic Coinage Molecules and Lewis Acids/Bases.
- Published in:
- ChemPhysChem, 2020, v. 21, n. 22, p. 2557, doi. 10.1002/cphc.202000704
- By:
- Publication type:
- Article
Diborane Concatenation Leads to New Planar Boron Chemistry.
- Published in:
- ChemPhysChem, 2020, v. 21, n. 21, p. 2460, doi. 10.1002/cphc.202000554
- By:
- Publication type:
- Article
Interaction between Trinuclear Regium Complexes of Pyrazolate and Anions, a Computational Study.
- Published in:
- International Journal of Molecular Sciences, 2020, v. 21, n. 21, p. 8036, doi. 10.3390/ijms21218036
- By:
- Publication type:
- Article
Hybrid Boron-Carbon Chemistry.
- Published in:
- Molecules, 2020, v. 25, n. 21, p. 5026, doi. 10.3390/molecules25215026
- By:
- Publication type:
- Article
A Computational Study of Metallacycles Formed by Pyrazolate Ligands and the Coinage Metals M = Cu(I), Ag(I) and Au(I): (pzM) n for n = 2, 3, 4, 5 and 6. Comparison with Structures Reported in the Cambridge Crystallographic Data Center (CCDC).
- Published in:
- Molecules, 2020, v. 25, n. 21, p. 5108, doi. 10.3390/molecules25215108
- By:
- Publication type:
- Article
Spodium Bonds: Noncovalent Interactions Involving Group 12 Elements.
- Published in:
- Angewandte Chemie, 2020, v. 132, n. 40, p. 17635, doi. 10.1002/ange.202007814
- By:
- Publication type:
- Article
Spodium Bonds: Noncovalent Interactions Involving Group 12 Elements.
- Published in:
- Angewandte Chemie International Edition, 2020, v. 59, n. 40, p. 17482, doi. 10.1002/anie.202007814
- By:
- Publication type:
- Article
Calculated coupling constants <sup>1</sup>J(X–Y) and <sup>1</sup>K(X–Y), and fundamental relationships among the reduced coupling constants for molecules H<sub>m</sub>X–YH<sub>n</sub>, with X, Y ═ <sup>1</sup>H, <sup>7</sup>Li, <sup>9</sup>Be, <sup>11</sup>B, <sup>13</sup>C, <sup>15</sup>N, <sup>17</sup>O, <sup>19</sup>F, <sup>31</sup>P, <sup>33</sup>S, and <sup>35</sup>Cl
- Published in:
- Magnetic Resonance in Chemistry, 2020, v. 58, n. 8, p. 727, doi. 10.1002/mrc.5026
- By:
- Publication type:
- Article
Unusual Complexes of P(CH)3 with FH, ClH, and ClF.
- Published in:
- Molecules, 2020, v. 25, n. 12, p. 2846, doi. 10.3390/molecules25122846
- By:
- Publication type:
- Article
Complexes H<sub>2</sub>CO:PXH<sub>2</sub> and HCO<sub>2</sub>H : PXH<sub>2</sub> for X=NC, F, Cl, CN, OH, CCH, CH<sub>3</sub>, and H: Pnicogen Bonds and Hydrogen Bonds.
- Published in:
- ChemPhysChem, 2020, v. 21, n. 8, p. 741, doi. 10.1002/cphc.202000099
- By:
- Publication type:
- Article
A theoretical and spectroscopic (NMR and IR) study of indirubin in solution and in the solid state.
- Published in:
- Journal of Physical Organic Chemistry, 2020, v. 33, n. 4, p. 1, doi. 10.1002/poc.4043
- By:
- Publication type:
- Article