Works matching DE "ISOMERS"
Results: 3424
A Theoretical Analysis of the <sup>19</sup>F NMR Spectrum of 5-(Perfluoroethyl)-3,4,5-tris(trifluoromethyl)pyrazolidin-3-ol.
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- Croatica Chemica Acta, 2024, v. 97, n. 3, p. 87, doi. 10.5562/cca4119
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Use of Ionic Liquids in the Enzymatic Synthesis of Structured Docosahexaenoic Acid Lyso-Phospholipids.
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- Molecules, 2025, v. 30, n. 3, p. 728, doi. 10.3390/molecules30030728
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Internally Catalyzed Hydrogen Atom Transfer (I-CHAT)—A New Class of Reactions in Combustion Chemistry.
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- Molecules, 2025, v. 30, n. 3, p. 524, doi. 10.3390/molecules30030524
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Quality by Design–Steered Chromatographic Separation and Identification of the Geometric Isomers of Capsiate by Reversed-Phase HPLC and LC-MS.
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- Journal of Chromatographic Science, 2025, v. 63, n. 2, p. 1, doi. 10.1093/chromsci/bmaf001
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乙醛肟还原 Np(Ⅵ) 的机理研究.
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- Atomic Energy Science & Technology, 2025, v. 59, n. 1, p. 35, doi. 10.7538/yzk.2024.youxian.0257
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End Column Reverse Chromatography as a Novel Approach for Enhanced Separation: A Pilot Study.
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- Journal of AOAC International, 2025, v. 108, n. 1, p. 112, doi. 10.1093/jaoacint/qsae080
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Structural basis of DSF recognition by its receptor RpfR and its regulatory interaction with the DSF synthase RpfF.
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- PLoS Biology, 2019, v. 17, n. 2, p. 1, doi. 10.1371/journal.pbio.3000123
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Encapsulation of Citral Isomers in Extracted Lemongrass Oil with Cyclodextrins: Molecular Modeling and Physicochemical Characterizations.
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- Bioscience, Biotechnology & Biochemistry, 2011, v. 75, n. 12, p. 2340, doi. 10.1271/bbb.110523
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Comparative and Stability Analyses of 9- and 13-Oxo-octadecadienoic Acids in Various Species of Tomato.
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- Bioscience, Biotechnology & Biochemistry, 2011, v. 75, n. 8, p. 1621, doi. 10.1271/bbb.110254
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Chiral Separation of Diastereomeric and Enantiomeric Products Obtained by an Organic Reaction in Aqueous Media between Cyclohexanone and p‐nitrobenzaldehyde by HPLC on Chiral Stationary Phase.
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- Macromolecular Symposia, 2021, v. 395, n. 1, p. 1, doi. 10.1002/masy.202000212
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Theoretical Methods of the Size Distribution Function for the Products of Hyperbranched Polymerization.
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- Macromolecular Theory & Simulations, 2021, v. 30, n. 3, p. 1, doi. 10.1002/mats.202000039
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Temperature Dependence of Structural Properties and Chain Configurational Study: A Molecular Dynamics Simulation of Polyethylene Chains.
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- Macromolecular Theory & Simulations, 2015, v. 24, n. 4, p. 335, doi. 10.1002/mats.201500007
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Ligand Effect and Control of E- and Z-Selectivity in the Silver-Catalyzed Synthesis of 4-Bromooxazolines.
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- Advanced Synthesis & Catalysis, 2015, v. 357, n. 11, p. 2485, doi. 10.1002/adsc.201500157
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Rhodium-Catalysed Tandem Hydroformylation/Arylation Reaction with Boronic Acids.
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- Advanced Synthesis & Catalysis, 2014, v. 356, n. 6, p. 1223, doi. 10.1002/adsc.201300968
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Stereoselective Synthesis of Functionalized Chiral 2-Nitrocyclohexanecarboxylic Esters via Catalytic Dienamine Addition to β-Substituted β-Nitroacrylates.
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- Advanced Synthesis & Catalysis, 2014, v. 356, n. 2/3, p. 493, doi. 10.1002/adsc.201301074
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Highly Efficient Catalytic Dimerization of Styrenes via Cationic Palladium(II) Complexes.
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- Advanced Synthesis & Catalysis, 2013, v. 355, n. 18, p. 3633, doi. 10.1002/adsc.201300864
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Hydrido-Cobalt Catalyst as a Selective Tool for the Dimerisation of Arylacetylenes: Scope and Theoretical Studies.
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- Advanced Synthesis & Catalysis, 2013, v. 355, n. 13, p. 2584, doi. 10.1002/adsc.201300486
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Isomer-specific effects of conjugated linoleic acid on proliferative activity of cultured neural progenitor cells.
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- Molecular & Cellular Biochemistry, 2011, v. 358, n. 1/2, p. 13, doi. 10.1007/s11010-011-0914-2
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Enzymatic hydroxylation of L-pipecolic acid by L-proline cis-4-hydroxylases and isomers separation.
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- Biotechnology Letters, 2020, v. 42, n. 12, p. 2607, doi. 10.1007/s10529-020-03002-z
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Production of trans-10, cis-12-conjugated linoleic acid using permeabilized whole-cell biocatalyst of Yarrowia lipolytica.
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- Biotechnology Letters, 2016, v. 38, n. 11, p. 1917, doi. 10.1007/s10529-016-2175-3
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Metabolomic fingerprinting of primed tobacco cells provide the first evidence for the biological origin of cis-chlorogenic acid.
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- Biotechnology Letters, 2015, v. 37, n. 1, p. 205, doi. 10.1007/s10529-014-1645-8
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Biodegradation of mono-hydroxylated PCBs by Burkholderia xenovorans.
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- Biotechnology Letters, 2012, v. 34, n. 12, p. 2247, doi. 10.1007/s10529-012-1037-x
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Substitution-induced band shifts and relative population of cis–trans azobenzene.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2024, v. 143, n. 8, p. 1, doi. 10.1007/s00214-024-03138-5
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Uncovering the mechanism of selective stabilization of high-energy diastereoisomers via inclusion.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2024, v. 143, n. 1, p. 1, doi. 10.1007/s00214-023-03077-7
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An exotic 3-center/4-electron carbon–carbon pi long-bond: Is it tangible?
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2023, v. 142, n. 3, p. 1, doi. 10.1007/s00214-023-02968-z
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MP2 study of the adsorption of CO<sub>2</sub> onto the water monomer, dimer and trimer.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2023, v. 142, n. 1, p. 1, doi. 10.1007/s00214-022-02942-1
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Electrons as an environment for nuclei within molecules: a quantitative assessment of their contribution to a classical-like molecular structure.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2021, v. 140, n. 12, p. 1, doi. 10.1007/s00214-021-02857-3
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Structural exploration and properties of (BN)6 cluster via ab initio in combination with particle swarm optimization method.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2021, v. 140, n. 5, p. 1, doi. 10.1007/s00214-021-02759-4
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Fluxional bis(phenoxy-imine) Zr and Ti catalysts for polymerization.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2021, v. 140, n. 5, p. 1, doi. 10.1007/s00214-021-02747-8
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Sodium isocyanide–Helium potential energy surface and astrophysical applications.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2021, v. 140, n. 1, p. 1, doi. 10.1007/s00214-020-02704-x
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Features of molecular structure of small non-IPR fullerenes: the two isomers of C<sub>50</sub>.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2020, v. 139, n. 10, p. N.PAG, doi. 10.1007/s00214-020-02675-z
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The investigation on ibuprofen methyl ester isomerization as a fundamental stage in the preparation of antipyretic medicine (R)-ibuprofen: a computational insight.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2020, v. 139, n. 7, p. 1, doi. 10.1007/s00214-020-02618-8
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A computational study on phenibut lactamization mechanism and the pH effects on the process.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2020, v. 139, n. 6, p. 1, doi. 10.1007/s00214-020-02617-9
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Evaluation of restricted probabilistic cellular automata on the exploration of the potential energy surface of Be6B11−.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2020, v. 139, n. 3, p. 1, doi. 10.1007/s00214-020-2548-5
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A DFT study on the oxidation of cyclotrisilene by nitrous oxide: the σ- and π-bonds reactivity.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2020, v. 139, n. 1, p. 1, doi. 10.1007/s00214-019-2540-0
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Theoretical investigations of structural, thermal properties and stability of the group 12 metal M(XH) isomers in atmosphere: M = (Zn, Cd, Hg) and XH = (OH, SH).
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2019, v. 138, n. 9, p. N.PAG, doi. 10.1007/s00214-019-2499-x
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DFT calculations in periodic boundary conditions of gas-phase acidities and of transition-metal anionic clusters: case study with carboxylate-stabilized ruthenium clusters.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2019, v. 138, n. 8, p. N.PAG, doi. 10.1007/s00214-019-2484-4
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Electronic structure and structural diversity in indenyl in heterobinuclear transition-metal half-sandwich complexes.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2018, v. 137, n. 7, p. 1, doi. 10.1007/s00214-018-2285-1
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Ab initio studies of the van der Waals complex CH<sub>4</sub>-O<sub>2</sub>. CH···O and CX···O interactions in halomethane X<sub>n</sub>CH<sub>4−n</sub>-O<sub>2</sub> complexes (X = F, Cl; n = 1, 2, 3)
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2018, v. 137, n. 5, p. 1, doi. 10.1007/s00214-018-2250-z
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The ground and excited states of HBrO2 [HOOBr, HOBrO, and HBr(O)O] and HBrO3 (HOOOBr and HOOBrO) isomers.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2016, v. 135, n. 7, p. 1, doi. 10.1007/s00214-016-1931-8
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Thermodynamic stability of neutral and anionic PFOAs.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2015, v. 134, n. 11, p. 1, doi. 10.1007/s00214-015-1725-4
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Separating nuclear spin isomers using a pump–dump laser scheme.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2015, v. 134, n. 4, p. 1, doi. 10.1007/s00214-015-1644-4
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Roaming dynamics in ketene isomerization.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2014, v. 133, n. 7, p. 1, doi. 10.1007/s00214-014-1507-4
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Low-energy nanoscale clusters of (TiC) n = 6, 12: a structural and energetic comparison with MgO.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2013, v. 132, n. 3, p. 1, doi. 10.1007/s00214-012-1312-x
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Structure-stability diagrams and stability-reactivity landscapes: a conceptual DFT study.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2012, v. 131, n. 2, p. 1, doi. 10.1007/s00214-012-1089-y
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Interconversion of cis- and trans-Fused Oxabicyclo[5.2.0]nonan-2-ones.
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- Helvetica Chimica Acta, 2011, v. 94, n. 11, p. 1994, doi. 10.1002/hlca.201100203
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Stereochemical Investigation of Macrocyclic Bisbibenzyls with a Stereogenic Center at One of the Ethylene Bridges.
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- Helvetica Chimica Acta, 2011, v. 94, n. 11, p. 2077, doi. 10.1002/hlca.201100172
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Acylated Triterpene Saponins from Atroxima liberica Stapf.
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- Helvetica Chimica Acta, 2011, v. 94, n. 11, p. 2066, doi. 10.1002/hlca.201100147
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1-[( E)-2-Arylethenyl]-2,2-diphenylcyclopropanes: Kinetics and Mechanism of Rearrangement to Cyclopentenes.
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- Helvetica Chimica Acta, 2011, v. 94, n. 8, p. 1359, doi. 10.1002/hlca.201100135
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Discovery of thiofulminic acid with the QUIJOTE line survey: A study of the isomers of HNCS and HNCO in TMC-1.
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- Astronomy & Astrophysics / Astronomie et Astrophysique, 2024, v. 682, p. 1, doi. 10.1051/0004-6361/202349105
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