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Molecular-strain induced phosphinidene reactivity of a phosphanorcaradiene.
- Published in:
- Nature Communications, 2024, v. 15, n. 1, p. 1, doi. 10.1038/s41467-024-49042-1
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- Article
<sup>3</sup>He@C<sub>60</sub> as a Concise Probe in Complex Systems: Diels‐Alder Reac‐tions of Fullerene with Different Bis Anthracene Compounds.
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- ChemistrySelect, 2024, v. 9, n. 7, p. 1, doi. 10.1002/slct.202303667
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- Article
Implementation of molecular symmetry in valence bond calculation.
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- Journal of the Chinese Chemical Society, 2023, v. 70, n. 3, p. 341, doi. 10.1002/jccs.202200476
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- Article
Radical Pairing Interactions and Donor–Acceptor Interactions in Cyclobis(paraquat-p-phenylene) Inclusion Complexes.
- Published in:
- Molecules, 2023, v. 28, n. 5, p. 2057, doi. 10.3390/molecules28052057
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- Article
New particle formation event detection with Mask R-CNN.
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- Atmospheric Chemistry & Physics, 2022, v. 22, n. 2, p. 1293, doi. 10.5194/acp-22-1293-2022
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- Article
XEDA, a fast and multipurpose energy decomposition analysis program.
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- Journal of Computational Chemistry, 2021, v. 42, n. 32, p. 2341, doi. 10.1002/jcc.26765
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- Article
Metal Effect Meets Volcano Plots: A DFT Study on Tris(phosphino)borane‐Transition Metal Complexes Catalyzed H<sub>2</sub> Activation.
- Published in:
- Chemistry - An Asian Journal, 2021, v. 16, n. 21, p. 3427, doi. 10.1002/asia.202100772
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- Article
New Particle Formation Events Detection with Deep Learning.
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- Atmospheric Chemistry & Physics Discussions, 2021, p. 1, doi. 10.5194/acp-2021-771
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- Article
A Valence-Bond-Based Multiconfigurational Density Functional Theory: The λ-DFVB Method Revisited.
- Published in:
- Molecules, 2021, v. 26, n. 3, p. 521, doi. 10.3390/molecules26030521
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- Article
How to Achieve Efficiency and Accuracy in Discrete Element Simulation of Asphalt Mixture: A DRF-Based Equivalent Model for Asphalt Sand Mortar.
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- Advances in Civil Engineering, 2020, p. 1, doi. 10.1155/2020/8855409
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- Article
Band Ranking via Extended Coefficient of Variation for Hyperspectral Band Selection.
- Published in:
- Remote Sensing, 2020, v. 12, n. 20, p. 3319, doi. 10.3390/rs12203319
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- Article
Biodegradable Catalase‐Modified Micelles as Ultrasound Contrast Agents for Inflammation Detection.
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- Particle & Particle Systems Characterization, 2020, v. 37, n. 10, p. 1, doi. 10.1002/ppsc.202000193
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- Article
Generalized Kohn‐Sham energy decomposition analysis and its applications.
- Published in:
- WIREs: Computational Molecular Science, 2020, v. 10, n. 5, p. 1, doi. 10.1002/wcms.1460
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- Article
Improved Boundary Conditions for a 3D DEM Simple Shear Model.
- Published in:
- Advances in Civil Engineering, 2020, p. 1, doi. 10.1155/2020/5420793
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- Article
Porosity Prediction of Granular Materials through Discrete Element Method and Back Propagation Neural Network Algorithm.
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- Applied Sciences (2076-3417), 2020, v. 10, n. 5, p. 1693, doi. 10.3390/app10051693
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- Article
Unravelling the Weak Interactions in Binary Clusters of Serotonin and Amino Acid Residues.
- Published in:
- ChemistrySelect, 2019, v. 4, n. 34, p. 9978, doi. 10.1002/slct.201902100
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- Article
Front Cover: σ‐Aromaticity in a Fully Unsaturated Ring (Chem. Asian J. 23/2018).
- Published in:
- Chemistry - An Asian Journal, 2018, v. 13, n. 23, p. 3554, doi. 10.1002/asia.201801562
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- Article
σ‐Aromaticity in a Fully Unsaturated Ring.
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- Chemistry - An Asian Journal, 2018, v. 13, n. 23, p. 3691, doi. 10.1002/asia.201801279
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- Article
Multi-modal mechanophores based on cinnamate dimers.
- Published in:
- Nature Communications, 2017, v. 8, n. 1, p. 1, doi. 10.1038/s41467-017-01412-8
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- Article
XMVB 2.0: A new version of Xiamen valence bond program.
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- International Journal of Quantum Chemistry, 2015, v. 115, n. 11, p. 731, doi. 10.1002/qua.24855
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- Article
Ab initio nonorthogonal valence bond methods.
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- WIREs: Computational Molecular Science, 2013, v. 3, n. 1, p. 56, doi. 10.1002/wcms.1105
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- Article
Quadruple bonding in C<sub>2</sub> and analogous eight-valence electron species.
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- Nature Chemistry, 2012, v. 4, n. 3, p. 195, doi. 10.1038/nchem.1263
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- Article
A Valence Bond Study of the Low-Lying States of the NF Molecule.
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- ChemPhysChem, 2008, v. 9, n. 10, p. 1442, doi. 10.1002/cphc.200800143
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- Article
The Menshutkin Reaction in the Gas Phase and in Aqueous Solution: A Valence Bond Study.
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- ChemPhysChem, 2007, v. 8, n. 18, p. 2603, doi. 10.1002/cphc.200700626
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- Article
A valence bond study of the dioxygen molecule.
- Published in:
- Journal of Computational Chemistry, 2007, v. 28, n. 1, p. 185, doi. 10.1002/jcc.20490
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- Publication type:
- Article