Works matching DE "PROTON affinity"
Results: 151
Synthesis and Characterization of Substituted Phosphasilenes and its Rare Homologue Stibasilene >Si=Sb−.
- Published in:
- Chemistry - A European Journal, 2023, v. 29, n. 47, p. 1, doi. 10.1002/chem.202300791
- By:
- Publication type:
- Article
Four‐Membered Bimetallic Carbon Complex [(M(η<sup>5</sup>‐C<sub>5</sub>(CH<sub>3</sub>)<sub>5</sub>))<sub>2</sub>(μ‐NPh)(μ‐C)] (M=Fe, Ru, Os) – An Ambiphilic Carbene with Lone Pair and σ‐Hole Reactivity
- Published in:
- Chemistry - A European Journal, 2023, v. 29, n. 35, p. 1, doi. 10.1002/chem.202300582
- By:
- Publication type:
- Article
Reactivity of a N‐Coordinated Germylene‐Borane Complex: From Ge→B to Ge→Ga Coordination.
- Published in:
- Chemistry - A European Journal, 2022, v. 28, n. 70, p. 1, doi. 10.1002/chem.202202639
- By:
- Publication type:
- Article
Simultaneous Hydrogen Generation and Exciplex Stimulated Emission in Photobasic Carbon Dots.
- Published in:
- Angewandte Chemie, 2023, v. 135, n. 33, p. 1, doi. 10.1002/ange.202305817
- By:
- Publication type:
- Article
f‐block MOFs: A Pathway to Heterometallic Transuranics.
- Published in:
- Angewandte Chemie, 2023, v. 135, n. 5, p. 1, doi. 10.1002/ange.202216349
- By:
- Publication type:
- Article
Mesoionic N‐Heterocyclic Imines as Super Nucleophiles in Catalytic Couplings of Amides with CO<sub>2</sub>.
- Published in:
- Angewandte Chemie, 2022, v. 134, n. 51, p. 1, doi. 10.1002/ange.202213614
- By:
- Publication type:
- Article
Strong Fermi Resonance Associated with Proton Motions Revealed by Vibrational Spectra of Asymmetric Proton‐Bound Dimers.
- Published in:
- Angewandte Chemie, 2021, v. 133, n. 4, p. 1964, doi. 10.1002/ange.202012665
- By:
- Publication type:
- Article
Stable Mesoionic N‐Heterocyclic Olefins (mNHOs).
- Published in:
- Angewandte Chemie, 2020, v. 132, n. 14, p. 5831, doi. 10.1002/ange.201914571
- By:
- Publication type:
- Article
Computational analysis of substituent effects on proton affinity and gas-phase basicity of TEMPO derivatives and their hydrogen bonding interactions with water molecules.
- Published in:
- Scientific Reports, 2024, v. 14, n. 1, p. 1, doi. 10.1038/s41598-024-58582-x
- By:
- Publication type:
- Article
Interplay of Hydration and Protonation Dynamics in the K-Channel of Cytochrome c Oxidase.
- Published in:
- Biomolecules (2218-273X), 2022, v. 12, n. 11, p. 1615, doi. 10.3390/biom12111615
- By:
- Publication type:
- Article
On Analogies in Proton-Transfers for Pyrimidine Bases in the Gas Phase (Apolar Environment)—Cytosine Versus Isocytosine.
- Published in:
- Symmetry (20738994), 2023, v. 15, n. 2, p. 342, doi. 10.3390/sym15020342
- By:
- Publication type:
- Article
Push–Pull Effect on the Gas-Phase Basicity of Nitriles: Transmission of the Resonance Effects by Methylenecyclopropene and Cyclopropenimine π-Systems Substituted by Two Identical Strong Electron Donors.
- Published in:
- Symmetry (20738994), 2021, v. 13, n. 9, p. 1554, doi. 10.3390/sym13091554
- By:
- Publication type:
- Article
Protonated heterocyclic derivatives of cyclopropane and cyclopropanone: classical species, alternate sites, and ring fragmentation.
- Published in:
- Canadian Journal of Chemistry, 2015, v. 93, n. 7, p. 708, doi. 10.1139/cjc-2015-0029
- By:
- Publication type:
- Article
Hydrogen-bonded proton transfer in the hydrated adenine–thymine anion.
- Published in:
- Canadian Journal of Chemistry, 2013, v. 91, n. 10, p. 992, doi. 10.1139/cjc-2013-0162
- By:
- Publication type:
- Article
DFT/B3LYP Study of the Substituent Effects on the Reaction Enthalpies of the Antioxidant Mechanisms of Sesamol Derivatives in the Gas phase and water.
- Published in:
- Canadian Journal of Chemistry, 2012, v. 90, n. 10, p. 915, doi. 10.1139/v2012-087
- By:
- Publication type:
- Article
Characterization of aporphine alkaloids by electrospray ionization tandem mass spectrometry and density functional theory calculations.
- Published in:
- Rapid Communications in Mass Spectrometry: RCM, 2020, v. 34, p. 1, doi. 10.1002/rcm.8533
- By:
- Publication type:
- Article
Modeling cationic adduction of oligonucleotides using electrospray desorption ionization.
- Published in:
- Rapid Communications in Mass Spectrometry: RCM, 2020, v. 34, n. 8, p. 1, doi. 10.1002/rcm.8696
- By:
- Publication type:
- Article
Characterization of 6‐bromoferulic acid as a novel common‐use matrix for matrix‐assisted laser desorption/ionization time‐of‐flight mass spectrometry.
- Published in:
- Rapid Communications in Mass Spectrometry: RCM, 2020, v. 34, n. 7, p. 1, doi. 10.1002/rcm.8636
- By:
- Publication type:
- Article
Identification of new interferences leached from plastic microcentrifuge tubes in electrospray ionization mass spectrometry.
- Published in:
- Rapid Communications in Mass Spectrometry: RCM, 2019, v. 33, n. 10, p. 969, doi. 10.1002/rcm.8431
- By:
- Publication type:
- Article
Structure of protonated tryptophan dimer in the gas phase investigated by IRPD spectroscopy and theoretical calculations.
- Published in:
- Rapid Communications in Mass Spectrometry: RCM, 2016, v. 30, p. 24, doi. 10.1002/rcm.7615
- By:
- Publication type:
- Article
Proton affinities of candidates for positively charged ambient ions in the boreal forest.
- Published in:
- Atmospheric Chemistry & Physics Discussions, 2013, v. 13, n. 4, p. 10603, doi. 10.5194/acpd-13-10603-2013
- By:
- Publication type:
- Article
Tools for analyzing protonation states and for tracing proton transfer pathways with examples from the Rb. sphaeroides photosynthetic reaction centers.
- Published in:
- Photosynthesis Research, 2023, v. 156, n. 1, p. 101, doi. 10.1007/s11120-022-00973-0
- By:
- Publication type:
- Article
A theoretical study of the bond-dissociation enthalpies (BDH), N–R bond lengths and proton affinities of N-substituted pyrroles, imidazoles and pyrazoles with R substituents along the periodic table.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2025, v. 144, n. 1, p. 1, doi. 10.1007/s00214-024-03167-0
- By:
- Publication type:
- Article
W2SDD theory for computational thermochemistry: study of the addition of hydrogen halide to propene.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2020, v. 139, n. 7, p. 1, doi. 10.1007/s00214-020-02630-y
- By:
- Publication type:
- Article
Theoretical investigation of the action mechanisms of N, N-di-alkylated diarylamine antioxidants.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2017, v. 136, n. 8, p. 1, doi. 10.1007/s00214-017-2122-y
- By:
- Publication type:
- Article
On the nature of halogen bonded complexes between carbonyl bases and chlorotrifluoromethane.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2015, v. 134, n. 8, p. 1, doi. 10.1007/s00214-015-1706-7
- By:
- Publication type:
- Article
Proton affinity and gas-phase basicity of pyrogallol and phloroglucinol: a computational study.
- Published in:
- Journal of Coordination Chemistry, 2021, v. 74, n. 1-3, p. 61, doi. 10.1080/00958972.2021.1883007
- By:
- Publication type:
- Article
Saalfrank-type {Fe 2 L 3 } host–guest complexes – prediction of ion selectivity by quantum chemical calculations VII.
- Published in:
- Journal of Coordination Chemistry, 2015, v. 68, n. 17/18, p. 3374, doi. 10.1080/00958972.2015.1076806
- By:
- Publication type:
- Article
Energy refinement and analysis of structures in the QM9 database via a highly accurate quantum chemical method.
- Published in:
- Scientific Data, 2019, v. 6, n. 1, p. N.PAG, doi. 10.1038/s41597-019-0121-7
- By:
- Publication type:
- Article
Supercritical Fluid Chromatography–Mass-Spectrometry of Nitrogen-Containing Compounds: Atmospheric Pressure Ionization.
- Published in:
- Journal of Analytical Chemistry, 2021, v. 76, n. 14, p. 1624, doi. 10.1134/S1061934821140070
- By:
- Publication type:
- Article
Peculiarities of 2,6-Di-tert-butylpyridine Protonation: Mobility of Protonated Molecules.
- Published in:
- Journal of Analytical Chemistry, 2021, v. 76, n. 13, p. 1538, doi. 10.1134/S1061934821130074
- By:
- Publication type:
- Article
Peculiarities of 2,6-Di-tert-butylpyridine Protonation: Mobility of Protonated Molecules.
- Published in:
- Journal of Analytical Chemistry, 2021, v. 76, n. 12, p. 1538, doi. 10.1134/S1061934821130074
- By:
- Publication type:
- Article
Ion-Molecular Derivatization Reactions of Alcohols in a "Direct Analysis in Real Time" (DART) Mass Spectrometer: 4-N,N-Dimethylaminopyridine as a New Efficient Reagent.
- Published in:
- Journal of Analytical Chemistry, 2020, v. 75, n. 13, p. 1731, doi. 10.1134/S1061934820130043
- By:
- Publication type:
- Article
Pyridine and Methylpyridines: Calculations of the Structure, Proton Affinity, Gas-Phase Basicity, and Mobility of Protonated Molecules and Proton-Bound Dimers.
- Published in:
- Journal of Analytical Chemistry, 2020, v. 75, n. 13, p. 1719, doi. 10.1134/S1061934820130079
- By:
- Publication type:
- Article
Base‐Assisted Conversion of Protonated D‐Fructose to 5‐HMF: Searching for Gas‐Phase Green Models.
- Published in:
- ChemistryOpen, 2019, v. 8, n. 9, p. 1190, doi. 10.1002/open.201900173
- By:
- Publication type:
- Article
Structure-antioxidant activity relationship of methoxy, phenolic hydroxyl, and carboxylic acid groups of phenolic acids.
- Published in:
- Scientific Reports, 2020, v. 10, n. 1, p. 1, doi. 10.1038/s41598-020-59451-z
- By:
- Publication type:
- Article
THE COMPARATIVE BASICITIES, Li<sup>+</sup>AND Na<sup>+</sup>CATION AFFINITIES WITH A SERIES OF HETEROCYCLIC MOLECULES: A DFT STUDY.
- Published in:
- Rasayan Journal of Chemistry, 2018, v. 11, n. 2, p. 743, doi. 10.31788/rjc.2018.1123002
- By:
- Publication type:
- Article
Application of chemical derivatization techniques combined with chemical ionization mass spectrometry to detect stabilized Criegee intermediates and peroxy radicals in the gas phase.
- Published in:
- Atmospheric Measurement Techniques Discussions, 2020, p. 1, doi. 10.5194/amt-2020-335
- By:
- Publication type:
- Article
Effect of aromaticity and ring strain on proton affinity of aziridine and amidine skeletons: a DFT study.
- Published in:
- Journal of the Iranian Chemical Society, 2020, v. 17, n. 7, p. 1731, doi. 10.1007/s13738-020-01899-x
- By:
- Publication type:
- Article
Mechanistic insight into the kinetic fragmentation of norpinonic acid in the gas phase: an experimental and density functional theory (DFT) study.
- Published in:
- Atmospheric Chemistry & Physics, 2024, v. 24, n. 16, p. 9309, doi. 10.5194/acp-24-9309-2024
- By:
- Publication type:
- Article
In situ monitoring of photocatalyzed isomerization reactions on a microchip flow reactor by IR-MALDI ion mobility spectrometry.
- Published in:
- Analytical & Bioanalytical Chemistry, 2020, v. 412, n. 28, p. 7899, doi. 10.1007/s00216-020-02923-y
- By:
- Publication type:
- Article
The role of the mobile proton in fucose migration.
- Published in:
- Analytical & Bioanalytical Chemistry, 2019, v. 411, n. 19, p. 4637, doi. 10.1007/s00216-019-01657-w
- By:
- Publication type:
- Article
Tracing the Pathways of Waters and Protons in Photosystem II and Cytochrome c Oxidase.
- Published in:
- Inorganics, 2019, v. 7, n. 2, p. 14, doi. 10.3390/inorganics7020014
- By:
- Publication type:
- Article
The Electronic Properties and Reactivity of 4 (4-Substituted phenyl) -1,2,5- Selenadiazole Derivatives.
- Published in:
- Journal of Basrah Researches (Sciences), 2024, v. 50, n. 2, p. 257, doi. 10.56714/bjrs.50.2.22
- By:
- Publication type:
- Article
Investigation of Brønsted acidity in zeolites through adsorbates with diverse proton affinities.
- Published in:
- Scientific Reports, 2023, v. 13, n. 1, p. 1, doi. 10.1038/s41598-023-39667-5
- By:
- Publication type:
- Article
Stable four‐membered cyclosilylenes at theoretical levels.
- Published in:
- Journal of the Chinese Chemical Society, 2021, v. 68, n. 4, p. 541, doi. 10.1002/jccs.202000338
- By:
- Publication type:
- Article
New monodentate and bidentate silylene ligands by DFT.
- Published in:
- Journal of the Chinese Chemical Society, 2020, v. 67, n. 9, p. 1544, doi. 10.1002/jccs.202000113
- By:
- Publication type:
- Article
Novel halogenated cyclopentasilylene‐2,4‐dienes via DFT.
- Published in:
- Journal of the Chinese Chemical Society, 2020, v. 67, n. 5, p. 692, doi. 10.1002/jccs.202000010
- By:
- Publication type:
- Article
Subnanometric alkaline-earth oxide clusters for sustainable nitrate to ammonia photosynthesis.
- Published in:
- Nature Communications, 2022, v. 13, n. 1, p. 1, doi. 10.1038/s41467-022-28740-8
- By:
- Publication type:
- Article
Probing Polar‐π Interactions Between Tetrazoles and Aromatic Rings.
- Published in:
- Chemistry - An Asian Journal, 2023, v. 18, n. 10, p. 1, doi. 10.1002/asia.202300192
- By:
- Publication type:
- Article