Found: 33
Select item for more details and to access through your institution.
A Metal Inorganic Framework Designed as a Propellant Burn Rate Modifier.
- Published in:
- Advanced Engineering Materials, 2023, v. 25, n. 21, p. 1, doi. 10.1002/adem.202370074
- By:
- Publication type:
- Article
A Metal Inorganic Framework Designed as a Propellant Burn Rate Modifier.
- Published in:
- Advanced Engineering Materials, 2023, v. 25, n. 21, p. 1, doi. 10.1002/adem.202301099
- By:
- Publication type:
- Article
Chromophores inspired by the colors of fruit, flowers and wine.
- Published in:
- Pure & Applied Chemistry, 2020, v. 92, n. 2, p. 255, doi. 10.1515/pac-2019-0226
- By:
- Publication type:
- Article
A multi‐descriptor analysis of substituent effects on the structure and aromaticity of benzene derivatives: π‐Conjugation versus charge effects.
- Published in:
- Journal of Computational Chemistry, 2024, v. 45, n. 12, p. 863, doi. 10.1002/jcc.27296
- By:
- Publication type:
- Article
A comprehensive analysis of charge transfer effects on donor‐pyrene (bridge)‐acceptor systems using different substituents.
- Published in:
- Journal of Computational Chemistry, 2023, v. 44, n. 31, p. 2424, doi. 10.1002/jcc.27208
- By:
- Publication type:
- Article
Resonance Raman spectra and excited state properties of methyl viologen and its radical cation from time‐dependent density functional theory.
- Published in:
- Journal of Computational Chemistry, 2023, v. 44, n. 31, p. 2414, doi. 10.1002/jcc.27207
- By:
- Publication type:
- Article
Structural stability and the low‐lying singlet and triplet states of BN‐n‐acenes, n = 1–7.
- Published in:
- Journal of Computational Chemistry, 2023, v. 44, n. 6, p. 755, doi. 10.1002/jcc.27038
- By:
- Publication type:
- Article
Tuning the Biradicaloid Nature of Polycyclic Aromatic Hydrocarbons: The Effect of Graphitic Nitrogen Doping in Zethrenes.
- Published in:
- ChemPhysChem, 2018, v. 19, n. 19, p. 2492, doi. 10.1002/cphc.201800650
- By:
- Publication type:
- Article
Photoacidity of the 7‐Hydroxyflavylium Cation.
- Published in:
- Photochemistry & Photobiology, 2019, v. 95, n. 6, p. 1339, doi. 10.1111/php.13139
- By:
- Publication type:
- Article
High-level Ab Initio Absorption Spectra Simulations of Neutral, Anionic and Neutral+ Chromophore of Green Fluorescence Protein Chromophore Models in Gas Phase and Solution.
- Published in:
- Photochemistry & Photobiology, 2017, v. 93, n. 6, p. 1356, doi. 10.1111/php.12778
- By:
- Publication type:
- Article
Fluorescence and Phosphorescence of Flavylium Cation Analogues of Anthocyanins.
- Published in:
- Photochem, 2022, v. 2, n. 2, p. 423, doi. 10.3390/photochem2020029
- By:
- Publication type:
- Article
The functionality of cation bridges for binding polar groups in soil aggregates.
- Published in:
- International Journal of Quantum Chemistry, 2011, v. 111, n. 7/8, p. 1531, doi. 10.1002/qua.22693
- By:
- Publication type:
- Article
The electronically excited states of RDX (hexahydro-1,3,5-trinitro-1,3,5-triazine): Vertical excitations.
- Published in:
- International Journal of Quantum Chemistry, 2009, v. 109, n. 11, p. 2348, doi. 10.1002/qua.22043
- By:
- Publication type:
- Article
Influence of water molecule bridges on sequestration of phenol in soil organic matter of sapric histosol.
- Published in:
- Environmental Chemistry (14482517), 2019, v. 16, n. 7, p. 541, doi. 10.1071/EN18137
- By:
- Publication type:
- Article
Restructuring of a Peat in Interaction with Multivalent Cations: Effect of Cation Type and Aging Time.
- Published in:
- PLoS ONE, 2013, v. 8, n. 6, p. 1, doi. 10.1371/journal.pone.0065359
- By:
- Publication type:
- Article
Ultrafast Excited-state Proton Transfer Processes: Energy Surfaces and On-the-fly Dynamics Simulations.
- Published in:
- Croatica Chemica Acta, 2009, v. 82, n. 1, p. 105
- By:
- Publication type:
- Article
Synthesis and characterization of polymeric films with stress-altered aluminum particle fillers.
- Published in:
- Journal of Materials Science, 2020, v. 55, n. 29, p. 14229, doi. 10.1007/s10853-020-05017-3
- By:
- Publication type:
- Article
A theoretical adsorption study of the inner‐core and outer‐core hydrated alkali metal cation–circumcoronene complexes.
- Published in:
- International Journal of Quantum Chemistry, 2023, v. 123, n. 24, p. 1, doi. 10.1002/qua.27100
- By:
- Publication type:
- Article
The charge-transfer states in a stacked nucleobase dimer complex: A benchmark study.
- Published in:
- Journal of Computational Chemistry, 2011, v. 32, n. 7, p. 1217, doi. 10.1002/jcc.21702
- By:
- Publication type:
- Article
Thermodynamic stability of hydrogen-bonded systems in polar and nonpolar environments.
- Published in:
- Journal of Computational Chemistry, 2010, v. 31, n. 10, p. 2046, doi. 10.1002/jcc.21491
- By:
- Publication type:
- Article
Excited state properties, fluorescence energies, and lifetime of a poly(fluorene-pyridine) copolymer, based on TD-DFT investigation.
- Published in:
- Journal of Computational Chemistry, 2007, v. 28, n. 10, p. 1735, doi. 10.1002/jcc.20685
- By:
- Publication type:
- Article
Adsorption process of polar and nonpolar compounds in a nanopore model of humic substances.
- Published in:
- European Journal of Soil Science, 2020, v. 71, n. 5, p. 845, doi. 10.1111/ejss.12865
- By:
- Publication type:
- Article
Facile Access to Organostibines via Selective Organic Superbase Catalyzed Antimony‐Carbon Protonolysis.
- Published in:
- Angewandte Chemie International Edition, 2024, v. 63, n. 32, p. 1, doi. 10.1002/anie.202407822
- By:
- Publication type:
- Article
Facile Access to Organostibines via Selective Organic Superbase Catalyzed Antimony‐Carbon Protonolysis.
- Published in:
- Angewandte Chemie, 2024, v. 136, n. 32, p. 1, doi. 10.1002/ange.202407822
- By:
- Publication type:
- Article
The Diverse Manifold of Electronic States Generated by a Single Carbon Defect in a Graphene Sheet: Multireference Calculations Using a Pyrene Defect Model.
- Published in:
- ChemPhysChem, 2014, v. 15, n. 15, p. 3334, doi. 10.1002/cphc.201402304
- By:
- Publication type:
- Article
Excited-State Properties and Environmental Effects for Protonated Schiff Bases: A Theoretical StudyMultireference Configuration Interaction versus Coupled Cluster and Density Functional Methods.
- Published in:
- ChemPhysChem, 2006, v. 7, n. 10, p. 2089, doi. 10.1002/cphc.200600199
- By:
- Publication type:
- Article
Ab initio calculation of the excited states of nitropyrenes.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2021, v. 140, n. 7, p. 1, doi. 10.1007/s00214-021-02791-4
- By:
- Publication type:
- Article
Quantum chemical investigation of the ground- and excited-state acidities of a dihydroxyfuranoflavylium cation.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2021, v. 140, n. 7, p. 1, doi. 10.1007/s00214-021-02792-3
- By:
- Publication type:
- Article
A computational study of the ground and excited state acidities of synthetic analogs of red wine pyranoanthocyanins.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2020, v. 139, n. 7, p. 1, doi. 10.1007/s00214-020-02633-9
- By:
- Publication type:
- Article
Effects on the aromaticity and on the biradicaloid nature of acenes by the inclusion of a cyclobutadiene linkage.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2020, v. 139, n. 7, p. 1, doi. 10.1007/s00214-020-02624-w
- By:
- Publication type:
- Article
Theoretical O–CH3 bond dissociation enthalpies of selected aromatic and non-aromatic molecules.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2020, v. 139, n. 4, p. 1, doi. 10.1007/s00214-020-02592-1
- By:
- Publication type:
- Article
Preface.
- Published in:
- 2020
- By:
- Publication type:
- Editorial
Cation–π interactions in competition with cation microhydration: a theoretical study of alkali metal cation–pyrene complexes.
- Published in:
- Journal of Molecular Modeling, 2017, v. 23, n. 4, p. 1, doi. 10.1007/s00894-017-3302-3
- By:
- Publication type:
- Article