Theoretical Insights for Materials Properties of Cyclic Organic Nanorings.
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- Advanced Theory & Simulations, 2020, v. 3, n. 10, p. 1, doi. 10.1002/adts.202000110
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- Article
Works by Jimenez, Angel J.
Results: 13
1
2
Analysis of Scanning Tunneling Spectroscopy Experiments from First Principles: The Test Case of C<sub>60</sub> Adsorbed on Au(111).
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- ChemPhysChem, 2003, v. 4, n. 4, p. 388
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- Article
3
Self-consistent field calculations using two-body density functionals for correlation energy component: II. Small molecules.
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- Journal of Computational Chemistry, 1998, v. 19, n. 16, p. 1899, doi. 10.1002/(SICI)1096-987X(199812)19:16<1899::AID-JCC10>3.0.CO;2-A
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- Article
4
Self-consistent field calculations using two-body density functionals for correlation energy component: I. Atomic systems.
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- Journal of Computational Chemistry, 1998, v. 19, n. 16, p. 1887, doi. 10.1002/(SICI)1096-987X(199812)19:16<1887::AID-JCC9>3.0.CO;2-H
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- Article
5
Merging multiconfigurational wavefunctions and correlation functionals to predict magnetic coupling constants.
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- Journal of Computational Chemistry, 2007, v. 28, n. 16, p. 2559, doi. 10.1002/jcc.20757
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- Article
6
Tuning the Electron Acceptor in Phthalocyanine-Based Electron Donor--Acceptor Conjugates.
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- Chemistry - A European Journal, 2015, v. 21, n. 52, p. 19028, doi. 10.1002/chem.201503237
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- Article
7
Assembling a Phthalocyanine and Perylenediimide Donor-Acceptor Hybrid through a Platinum(II) Diacetylide Linker.
- Published in:
- Chemistry - A European Journal, 2013, v. 19, n. 43, p. 14506, doi. 10.1002/chem.201301630
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- Article
8
Assembling Phthalocyanine Dimers through a Platinum(II) Acetylide Linker.
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- Chemistry - A European Journal, 2011, v. 17, n. 50, p. 14139, doi. 10.1002/chem.201101791
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- Article
9
Synthesis, Characterization, and Photoinduced Energy and Electron Transfer in a Supramolecular Tetrakis (Ruthenium(II) Phthalocyanine) Perylenediimide Pentad.
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- Chemistry - A European Journal, 2011, v. 17, n. 18, p. 5024, doi. 10.1002/chem.201002963
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- Article
10
Oxidative Coupling of an Enaminoporphyrin: C−C, N−N Linkages or Both?
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- Asian Journal of Organic Chemistry, 2015, v. 4, n. 11, p. 1294, doi. 10.1002/ajoc.201500279
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- Article
11
Nonempirical (double‐hybrid) density functionals applied to atomic excitation energies: A systematic basis set investigation.
- Published in:
- International Journal of Quantum Chemistry, 2020, v. 120, n. 11, p. 1, doi. 10.1002/qua.26193
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- Article
12
N‐doped cycloparaphenylenes: Tuning electronic properties for applications in thermally activated delayed fluorescence.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 12, p. 1, doi. 10.1002/qua.25562
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- Article
13
Correlation potentials for the He atom and the hydrogen molecule: A comparison between the correlation factor approach and DFT correlation energy functionals.
- Published in:
- International Journal of Quantum Chemistry, 1997, v. 67, n. 3, p. 143, doi. 10.1002/(SICI)1097-461X(1998)67:3<143::AID-QUA2>3.0.CO;2-V
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- Article