Works matching Halogens
Results: 5000
Computational insights into halogen bonding between P&bond;Cl contact and several electron donors.
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- International Journal of Quantum Chemistry, 2010, v. 110, n. 6, p. 1245, doi. 10.1002/qua.22228
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Mechanism development and modelling of tropospheric multiphase halogen chemistry: The CAPRAM Halogen Module 2.0 (HM2).
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- Journal of Atmospheric Chemistry, 2013, v. 70, n. 1, p. 19, doi. 10.1007/s10874-013-9249-6
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高压下卤素化合物的反常物性.
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- Chinese Journal of High Pressure Physics, 2022, v. 36, n. 6, p. 1, doi. 10.11858/gywlxb.20220672
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Theoretical study of halogen-hydride halogen bonds in F3CL ··· HM (L=Cl, Br; M=Li, BeH, MgH) complexes.
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- Molecular Physics, 2010, v. 108, n. 5, p. 611, doi. 10.1080/00268971003630703
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Halogen⋯Halogen Interactions: Nature, Directionality and Applications.
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- Chemistry - An Asian Journal, 2023, v. 18, n. 8, p. 1, doi. 10.1002/asia.202300067
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Theoretical study of the complementarity in halogen-bonded complexes involving nitrogen and halogen as negative sites.
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- Journal of Molecular Modeling, 2014, v. 20, n. 2, p. 1, doi. 10.1007/s00894-014-2101-3
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Can the positive aromatic ring be as π-electron donor in π-halogen bond? A MP2 theoretical investigation on the unusual π-halogen bond interaction between three-membered ring $$ \left( {\hbox{BNN}} \right)_3^{+} $$ and X1X2 (X1, X2 = F, Cl, Br)
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- Journal of Molecular Modeling, 2011, v. 17, n. 5, p. 929, doi. 10.1007/s00894-010-0790-9
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On the Importance of Halogen-Halogen Interactions in the Solid State of Fullerene Halides: A Combined Theoretical and Crystallographic Study.
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- Crystals (2073-4352), 2017, v. 7, n. 7, p. 191, doi. 10.3390/cryst7070191
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Halogen Bond via an Electrophilic π-Hole on Halogen in Molecules: Does It Exist?
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- International Journal of Molecular Sciences, 2024, v. 25, n. 9, p. 4587, doi. 10.3390/ijms25094587
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A Theoretical Study of the Halogen Bond between Heteronuclear Halogen and Benzene.
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- Molecules, 2022, v. 27, n. 22, p. 8078, doi. 10.3390/molecules27228078
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Halogens in amphibole and mica from mantle xenoliths: Implications for the halogen distribution and halogen budget of the metasomatized continental lithosphere.
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- American Mineralogist, 2020, v. 105, n. 6, p. 781, doi. 10.2138/am-2020-7174
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Heavy halogen geochemistry of martian shergottite meteorites and implications for the halogen composition of the depleted shergottite mantle source.
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- American Mineralogist, 2020, v. 105, n. 3, p. 289, doi. 10.2138/am-2020-7237
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Substituent effects on noncovalent halogen/π interactions: Theoretical study.
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- International Journal of Quantum Chemistry, 2007, v. 107, n. 6, p. 1479, doi. 10.1002/qua.21279
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The Impact of ortho‐substituents on Bonding in Silver(I) and Halogen(I) Complexes of 2‐Mono‐ and 2,6‐Disubstituted Pyridines: An In‐Depth Experimental and Theoretical Study.
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- Chemistry - A European Journal, 2024, v. 30, n. 13, p. 1, doi. 10.1002/chem.202303643
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Heteroligand Cu(II) Complexes with 2-Halogenopyridines: Crystal Structure and Features of Halogen⋯Halogen Contacts in the Solid State.
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- Journal of Structural Chemistry, 2020, v. 61, n. 5, p. 712, doi. 10.1134/S0022476620050066
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Variation of Intermediates and Toxicity in High Halogen Dye Wastewater During UV/ SO<sub>3</sub><sup>2-</sup> Process for Detoxification.
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- Asian Journals of Ecotoxicology, 2023, v. 18, n. 6, p. 109, doi. 10.7524/AJE.1673-5897.20230513001
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Alternatives to free molecular halogens as chemoselective reactants: Catalysis of organic reactions with reusable complexes of halogen metal salts.
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- Pure & Applied Chemistry, 2012, v. 84, n. 3, p. 819, doi. 10.1351/PAC-CON-11-07-13
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Theoretical studies of traditional and halogen-shared halogen bonds: the doped all-metal aromatic clusters MAl3− (M = Si, Ge, Sn, Pb) as halogen bond acceptors.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2015, v. 134, n. 12, p. 1, doi. 10.1007/s00214-015-1752-1
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The intermolecular interaction in the charge-transfer complexes between amines and halogens: A theoretical characterization of the trends in halogen bonding.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2003, v. 110, n. 1, p. 1, doi. 10.1007/s00214-003-0448-0
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Halogen Bonding in Two‐Dimensional Crystal Engineering.
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- ChemistryOpen, 2020, v. 9, n. 2, p. 225, doi. 10.1002/open.201900337
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Alkali Metal-Ion Binding by a Model Macrocycle Containing a C-I···N Halogen Bonded Network: A DFT Study of C-I···M + and N···M + Binding Interactions, M + = Li + , Na + , K + , and Rb +.
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- Inorganics, 2024, v. 12, n. 6, p. 161, doi. 10.3390/inorganics12060161
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Heteroleptic Zn(II)–Pentaiodobenzoate Complexes: Structures and Features of Halogen–Halogen Non-Covalent Interactions in Solid State.
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- Inorganics, 2022, v. 10, n. 10, p. 151, doi. 10.3390/inorganics10100151
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Halogen Bonding: A Halogen-Centered Noncovalent Interaction Yet to Be Understood.
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- Inorganics, 2019, v. 7, n. 3, p. 40, doi. 10.3390/inorganics7030040
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Characterization of orthogonal hydrogen and halogen bonds in thiobarbituric acid complexes with halogen molecules (X = I<sub>2</sub>, Br<sub>2</sub>, and Cl<sub>2</sub>): Structural and spectroscopic study.
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- Journal of the Chinese Chemical Society, 2021, v. 68, n. 9, p. 1630, doi. 10.1002/jccs.202100101
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Substituent Effect and Its Halogen‐Atom Dependence of Halogen Bonding Viewed through Electron Density Changes.
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- Chemistry - An Asian Journal, 2023, v. 18, n. 3, p. 1, doi. 10.1002/asia.202201196
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Activation of Glycosyl Halides by Halogen Bonding.
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- Chemistry - An Asian Journal, 2014, v. 9, n. 8, p. 2095, doi. 10.1002/asia.201402259
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Catalytic Approaches to the Halogen Dance Reaction for Molecular Editing.
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- ChemCatChem, 2024, v. 16, n. 14, p. 1, doi. 10.1002/cctc.202400408
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Halogen Heterogeneity in the Lithosphere and Evolution of Mantle Halogen Abundances Inferred From Intraplate Mantle Xenoliths.
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- Geochemistry, Geophysics, Geosystems: G3, 2019, v. 20, n. 2, p. 952, doi. 10.1029/2018GC007903
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Modeling the Sources and Chemistry of Polar Tropospheric Halogens (Cl, Br, and I) Using the CAM‐Chem Global Chemistry‐Climate Model.
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- Journal of Advances in Modeling Earth Systems, 2019, v. 11, n. 7, p. 2259, doi. 10.1029/2019MS001655
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Modeling the Sources and Chemistry of Polar Tropospheric Halogens (Cl, Br, and I) Using the CAM‐Chem Global Chemistry‐Climate Model.
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- Journal of Advances in Modeling Earth Systems, 2019, v. 11, p. 2259, doi. 10.1029/2019MS001655
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Theoretical investigation of the use of nanocages with an adsorbed halogen atom as anode materials in metal-ion batteries.
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- Journal of Molecular Modeling, 2018, v. 24, n. 3, p. 0, doi. 10.1007/s00894-018-3604-0
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Halogen bond tunability II: the varying roles of electrostatic and dispersion contributions to attraction in halogen bonds.
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- Journal of Molecular Modeling, 2013, v. 19, n. 11, p. 4651, doi. 10.1007/s00894-012-1428-x
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Halogen Bonding of N‐Halosuccinimides with Amines and Effects of Brønsted Acids in Quinuclidine‐Catalyzed Halocyclizations.
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- Helvetica Chimica Acta, 2021, v. 104, n. 9, p. 1, doi. 10.1002/hlca.202100080
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Comparison of Anion‐Anion Halogen Bonds with Neutral‐Anion Halogen Bonds in the Gas Phase and Polar Solvents.
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- ChemPlusChem, 2021, v. 86, n. 2, p. 232, doi. 10.1002/cplu.202000734
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Halogen Bearing Amphiboles, Aqueous Fluids, and Melts in Subduction Zones: Insights on Halogen Cycle From Electrical Conductivity.
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- Journal of Geophysical Research. Solid Earth, 2021, v. 126, n. 3, p. 1, doi. 10.1029/2020JB021339
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Role of Lewis-Base-Coordinated Halogen(I) Intermediates in Organic Synthesis: The Journey from Unstable Intermediates to Versatile Reagents.
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- European Journal of Organic Chemistry, 2017, v. 2017, n. 37, p. 5497, doi. 10.1002/ejoc.201700916
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Simple Synthesis of Multi-Halogen Pyrazino[1,2- a]indole-1,8(2 H,5 aH)-diones.
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- Bulletin of the Korean Chemical Society, 2016, v. 37, n. 10, p. 1593, doi. 10.1002/bkcs.10909
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On the Importance of Halogen Bonding Interactions in Two X-ray Structures Containing All Four (F, Cl, Br, I) Halogen Atoms.
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- Crystals (2073-4352), 2021, v. 11, n. 11, p. 1406, doi. 10.3390/cryst11111406
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Role of Halogen Substituents on Halogen Bonding in 4,5-DiBromohexahydro-3a,6-Epoxyisoindol-1(4 H)-ones.
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- Crystals (2073-4352), 2021, v. 11, n. 2, p. 112, doi. 10.3390/cryst11020112
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The Influence of Liquid on the Outcome of Halogen-Bonded Metal--Organic Materials Synthesis by Liquid Assisted Grinding.
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- Crystals (2073-4352), 2017, v. 7, n. 12, p. 363, doi. 10.3390/cryst7120363
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Halogen-Bonded Co-Crystals of Aromatic N-oxides: Polydentate Acceptors for Halogen and Hydrogen Bonds.
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- Crystals (2073-4352), 2017, v. 7, n. 7, p. 214, doi. 10.3390/cryst7070214
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A new unconventional halogen bond C&bond;X···H&bond;M between HCCX (X = Cl and Br) and HMH (M = Be and Mg): An ab initio study.
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- Journal of Computational Chemistry, 2010, v. 31, n. 8, p. 1662, doi. 10.1002/jcc.21451
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Properties of halogen atoms for representing intermolecular electrostatic interactions related to halogen bonding and their substituent effects.
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- Journal of Computational Chemistry, 2010, v. 31, n. 1, p. 107, doi. 10.1002/jcc.21302
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Characterization of two types of intermolecular interactions on halogen monoxide monohydrates.
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- Journal of Computational Chemistry, 2009, v. 30, n. 15, p. 2538, doi. 10.1002/jcc.21260
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Type I–IV Halogen⋯Halogen Interactions: A Comparative Theoretical Study in Halobenzene⋯Halobenzene Homodimers.
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- International Journal of Molecular Sciences, 2022, v. 23, n. 6, p. 3114, doi. 10.3390/ijms23063114
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Fire performance of brominated and halogen-free flame retardants in glass-fiber reinforced poly(butylene terephthalate).
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- Fire & Materials, 2018, v. 42, n. 1, p. 18, doi. 10.1002/fam.2453
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Combination of Hydrogen and Halogen Bonds in the Crystal Structures of 5-Halogeno-1 H -isatin-3-oximes: Involvement of the Oxime Functionality in Halogen Bonding.
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- Molecules, 2024, v. 29, n. 5, p. 1174, doi. 10.3390/molecules29051174
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Charge-Shift Bonding Propensity in Halogen-Bonded BXY (B Is a Small Lewis Base H 2 O or NH 3 ; X and Y Are Halogen Atoms) Complexes: An NBO/NRT/AIM Investigation.
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- Molecules, 2023, v. 28, n. 17, p. 6212, doi. 10.3390/molecules28176212
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Complementary, Cooperative Ditopic Halogen Bonding and Electron Donor-Acceptor π-π Complexation in the Formation of Cocrystals.
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- Molecules, 2022, v. 27, n. 5, p. 1527, doi. 10.3390/molecules27051527
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Exploring Orthogonality between Halogen and Hydrogen Bonding Involving Benzene.
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- Molecules, 2021, v. 26, n. 23, p. 7126, doi. 10.3390/molecules26237126
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