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From ELF to Compressibility in Solids.
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- International Journal of Molecular Sciences, 2015, v. 16, n. 4, p. 8151, doi. 10.3390/ijms16048151
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- Article
The influence of refinement strategies on the wavefunctions derived from an experiment.
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2021, v. 77, n. 5, p. 715, doi. 10.1107/S2052520621008258
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- Article
Labelling Herceptin with a novel oxaliplatin derivative: a computational approach towards the selective drug delivery.
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- Journal of Molecular Modeling, 2014, v. 20, n. 9, p. 1, doi. 10.1007/s00894-014-2401-7
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- Article
The Independent Gradient Model: A New Approach for Probing Strong and Weak Interactions in Molecules from Wave Function Calculations.
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- ChemPhysChem, 2018, v. 19, n. 6, p. 724, doi. 10.1002/cphc.201701325
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- Article
Microscopic analysis of AgCl polymorphism.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2017, v. 136, n. 6, p. 1, doi. 10.1007/s00214-017-2101-3
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- Article
A benchmark for the non-covalent interaction (NCI) index or... is it really all in the geometry?
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2016, v. 135, n. 10, p. 1, doi. 10.1007/s00214-016-1977-7
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- Article
NCIPLOT and the analysis of noncovalent interactions using the reduced density gradient.
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- WIREs: Computational Molecular Science, 2021, v. 11, n. 2, p. 1, doi. 10.1002/wcms.1497
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- Article
Quantum Effects Explain the Twist Angle in the Helical Structure of DNA.
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- ChemPhysChem, 2024, v. 25, n. 19, p. 1, doi. 10.1002/cphc.202400372
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- Article
Valence‐Shell Electron‐Pair Repulsion Theory Revisited: An Explanation for Core Polarization.
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- Chemistry - A European Journal, 2019, v. 25, n. 46, p. 10938, doi. 10.1002/chem.201902244
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- Article
Frontispiece: Quantum Crystallography: Current Developments and Future Perspectives.
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- Chemistry - A European Journal, 2018, v. 24, n. 43, p. 1, doi. 10.1002/chem.201884361
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- Article
Quantum Crystallography: Current Developments and Future Perspectives.
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- Chemistry - A European Journal, 2018, v. 24, n. 43, p. 10881, doi. 10.1002/chem.201705952
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- Article
Titelbild: An Organocopper(III) Fluoride Triggering C−CF<sub>3</sub> Bond Formation (Angew. Chem. 11/2024).
- Published in:
- Angewandte Chemie, 2024, v. 136, n. 11, p. 1, doi. 10.1002/ange.202402860
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- Publication type:
- Article
An Organocopper(III) Fluoride Triggering C−CF<sub>3</sub> Bond Formation.
- Published in:
- Angewandte Chemie, 2024, v. 136, n. 11, p. 1, doi. 10.1002/ange.202319412
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- Publication type:
- Article
Cover Picture: An Organocopper(III) Fluoride Triggering C−CF<sub>3</sub> Bond Formation (Angew. Chem. Int. Ed. 11/2024).
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- Angewandte Chemie International Edition, 2024, v. 63, n. 11, p. 1, doi. 10.1002/anie.202402860
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- Publication type:
- Article
An Organocopper(III) Fluoride Triggering C−CF<sub>3</sub> Bond Formation.
- Published in:
- Angewandte Chemie International Edition, 2024, v. 63, n. 11, p. 1, doi. 10.1002/anie.202319412
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- Publication type:
- Article
Orbital energies and nuclear forces in DFT: Interpretation and validation.
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- Journal of Computational Chemistry, 2021, v. 42, n. 5, p. 334, doi. 10.1002/jcc.26459
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- Article
3‐Hydroxypyridinyl‐Substituted‐1,2,4‐Triazoles as New ESIPT Based Fluorescent Dyes: Synthesis and Structure–Fluorescence Properties Correlations.
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- Advanced Optical Materials, 2023, v. 11, n. 14, p. 1, doi. 10.1002/adom.202300336
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- Article
Visualizing Correlation Regions: The Case of the Ammonia Crystal.
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- Chemistry - Methods, 2022, v. 2, n. 2, p. 1, doi. 10.1002/cmtd.202100045
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- Article
Effect of Strain on Interactions of Σ3{111} Silicon Grain Boundary with Oxygen Impurities from First Principles.
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- Physica Status Solidi (B), 2022, v. 259, n. 8, p. 1, doi. 10.1002/pssb.202100377
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- Article
Cover Feature: Quest for the Most Aromatic Pathway in Charged Expanded Porphyrins (Chem. Eur. J. 6/2023).
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- Chemistry - A European Journal, 2023, v. 29, n. 6, p. 1, doi. 10.1002/chem.202300066
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- Article
Quest for the Most Aromatic Pathway in Charged Expanded Porphyrins.
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- Chemistry - A European Journal, 2023, v. 29, n. 6, p. 1, doi. 10.1002/chem.202202264
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- Article
Labeling IL-18 with alkaloids: toward the use of cytokines as carrier molecules in chemotherapy.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2019, v. 138, n. 8, p. N.PAG, doi. 10.1007/s00214-019-2483-5
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- Article
Revealing strong interactions with the reduced density gradient: a benchmark for covalent, ionic and charge-shift bonds.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2017, v. 136, n. 12, p. 1, doi. 10.1007/s00214-017-2169-9
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- Article
Understanding Topological Insulators in Real Space.
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- Molecules, 2021, v. 26, n. 10, p. 2965, doi. 10.3390/molecules26102965
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- Article
Energetics of Electron Pairs in Electrophilic Aromatic Substitutions.
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- Molecules, 2021, v. 26, n. 2, p. 513, doi. 10.3390/molecules26020513
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- Article
Molecular insight into endosulfan degradation by Ese protein from Arthrobacter: Evidence‐based structural bioinformatics and quantum mechanical calculations.
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- Proteins, 2024, v. 92, n. 2, p. 302, doi. 10.1002/prot.26610
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- Article
Cover Picture: Understanding the Fundamental Role of π /π, σ /σ, and σ /π Dispersion Interactions in Shaping Carbon-Based Materials (Chem. Eur. J. 17/2014).
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- Chemistry - A European Journal, 2014, v. 20, n. 17, p. 4841, doi. 10.1002/chem.201490067
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- Article
Understanding the Fundamental Role of π /π, σ /σ, and σ /π Dispersion Interactions in Shaping Carbon-Based Materials.
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- Chemistry - A European Journal, 2014, v. 20, n. 17, p. 4931, doi. 10.1002/chem.201400107
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- Article
Understanding the Fundamental Role of π /π, σ /σ, and σ /π Dispersion Interactions in Shaping Carbon-Based Materials.
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- 2014
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- Publication type:
- Other
Revealing Non-covalent Interactions in Molecular Crystals through Their Experimental Electron Densities.
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- Chemistry - A European Journal, 2012, v. 18, n. 48, p. 15523, doi. 10.1002/chem.201201290
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- Article
Silver-Catalysed Enantioselective Addition of OH and NH Bonds to Allenes: A New Model for Stereoselectivity Based on Noncovalent Interactions.
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- Chemistry - A European Journal, 2012, v. 18, n. 36, p. 11317, doi. 10.1002/chem.201200547
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- Article
Nine questions on energy decomposition analysis.
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- Journal of Computational Chemistry, 2019, v. 40, n. 26, p. 2248, doi. 10.1002/jcc.26003
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- Article