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Description of changes in chemical bonding along the pathways of chemical reactions by deformation of the molecular electrostatic potential.
- Published in:
- Journal of Molecular Modeling, 2025, v. 31, n. 1, p. 1, doi. 10.1007/s00894-024-06239-x
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- Article
Antileishmanial activity of a dillapiole derivative obtained from Piper aduncum L. (Piperaceae).
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- Brazilian Journal of Biology, 2024, v. 84, p. 1, doi. 10.1590/1519-6984.282198
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EVALUATION OF THE GREENNESS PROFILES OF INDIRECT SPECTROPHOTOMETRIC METHODS FOR ESTIMATION OF GEMIFLOXACIN MESYLATE IN PURE AND DOSAGE FORMS UTILIZING N-BROMOSUCCINIMIDE AS A GREEN REAGENT.
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- Bulletin of the Chemical Society of Ethiopia, 2025, v. 39, n. 2, p. 227, doi. 10.4314/bcse.v39i2.4
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NON-SIMILAR KELLER BOX ANALYSIS OF MAGNETO CHEMICALLY RADIATIVE BUONGIORNO'S NANOFLUID FLOWS PAST A STRETCHING SURFACE.
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- Journal of Naval Architecture & Marine Engineering, 2024, v. 21, n. 2, p. 127, doi. 10.3329/jname.v21i2.74923
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The thermodynamics of multicomponent high-entropy materials.
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- Journal of Materials Science, 2025, v. 60, n. 3, p. 1750, doi. 10.1007/s10853-024-10385-1
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A Microbially Induced Magnesia Carbonation (MIMC) Method with Potential Application for Crack Healing of Sandstone Cultural Relics: Improving Interfacial Bonding Strength: A Microbially Induced Magnesia Carbonation (MIMC) Method with Potential Application for Crack...: Z.-H. Dong et al
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- Rock Mechanics & Rock Engineering, 2025, v. 58, n. 1, p. 557, doi. 10.1007/s00603-024-04149-1
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- Article
Epoxy-ended hyperbranched polymer-grafted graphene oxide for cold-mixed epoxy asphalt modification.
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- International Journal of Pavement Engineering, 2024, v. 25, n. 1, p. 1, doi. 10.1080/10298436.2024.2361344
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Unlocking the potential of epoxy binders for efficient reclaimed asphalt pavement recycling: an experimental and molecular simulation study.
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- International Journal of Pavement Engineering, 2024, v. 25, n. 1, p. 1, doi. 10.1080/10298436.2024.2356230
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Preparation, microstructures and properties of shape memory hydrogenated epoxy resin-modified emulsified asphalt.
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- International Journal of Pavement Engineering, 2024, v. 25, n. 1, p. 1, doi. 10.1080/10298436.2024.2316095
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- Article
Ruthenium Thrifting – Computation Insights in NH<sub>3</sub> Decomposition onto Ru Single Atom Catalyst CeO<sub>2</sub>.
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- CET Journal - Chemical Engineering Transactions, 2024, v. 114, p. 469, doi. 10.3303/CET24114079
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- Article
A BGK-Type Model for Multi-component Gas Mixtures Undergoing a Bimolecular Chemical Reaction: A BGK-Type Model for Multi-component Gas Mixtures...: G. Martalò et al.
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- Journal of Statistical Physics, 2025, v. 192, n. 1, p. 1, doi. 10.1007/s10955-024-03389-3
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Variation theory of interconnected chemical reactions.
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- European Physical Journal: Special Topics, 2024, v. 233, n. 23, p. 3573, doi. 10.1140/epjs/s11734-024-01313-0
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- Article
Variational approach to chemical reactions beyond local equilibrium.
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- Journal of Non-Equilibrium Thermodynamics, 2025, v. 50, n. 1, p. 185, doi. 10.1515/jnet-2024-0072
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- Article
Recent applications of heteroatom-centered radicals as catalysts in organic synthesis.
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- ARKIVOC: Online Journal of Organic Chemistry, 2024, v. 2024, p. 1, doi. 10.24820/ark.5550190.p012.052
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- Article
Well-Posedness of Boundary Control System of Nonlinear Chemical Reaction.
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- Nonlinear Dynamics & Systems Theory, 2024, v. 24, n. 6, p. 648
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INVESTIGATING THE EFFECT OF AUTOCLAVE STEAM STERILIZATION ON ANODIZED IMPLANTS FOR COLOR FED ISSUE.
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- i-Manager's Journal on Chemical Sciences (JCHEM), 2024, v. 4, n. 2, p. 18, doi. 10.26634/jchem.4.2.21401
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Solving System of ODEs and Analyzing Chemical Reactions.
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- Engineering Letters, 2025, v. 33, n. 1, p. 38
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- Article
SYNTHESIS REACTIONS OF QUINAZOLIN-4-ONE IN THE PRESENCE OF IRON (III)-CHLORIDE CATALYSTS.
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- Austrian Journal of Technical & Natural Sciences, 2024, n. 9/10, p. 49, doi. 10.29013/AJT-24-9.10-49-53
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- Article
失效催化剂中钯的硫酸浸出动力学研究.
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- Precious Metals / Guijinshu, 2024, v. 45, n. 4, p. 61
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Study on Cerium-Based Catalysts TiCe<sub>0.2</sub>W<sub>0.2</sub>O<sub>2−δ</sub> for Selective Catalytic Reduction of NO<sub>x</sub> at Low Temperature.
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- Catalysis Letters, 2025, v. 155, n. 2, p. 1, doi. 10.1007/s10562-024-04914-5
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Unveiling the Synthetic Potential of Conjugated Organic Molecule as Efficient Photo-catalytic Trifluoromethylation and Photo-cocatalytic C–N Coupling Reaction.
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- Catalysis Letters, 2025, v. 155, n. 2, p. 1, doi. 10.1007/s10562-024-04900-x
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- Article
Tracking the structural change of the predissociating molecule near the transition state.
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- Nature Communications, 2025, v. 16, n. 1, p. 1, doi. 10.1038/s41467-024-55249-z
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- Article
Biosynthesis of Feruloyl Glycerol from Ferulic Acid and Glycerol Through a Two-Enzyme Cascade Reaction.
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- Applied Biochemistry & Biotechnology, 2024, v. 196, n. 12, p. 8572, doi. 10.1007/s12010-024-04984-6
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- Article
Pattern and Mechanism of Response of Loess Shear Strength to Acid Pollution in Seasonal Frozen Areas.
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- Soil Mechanics & Foundation Engineering, 2024, v. 61, n. 5, p. 476, doi. 10.1007/s11204-024-10000-0
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- Article
Chalcogen Bonds Enable Efficient Photoreduction of Sulfur‐Containing Heterocycles.
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- Angewandte Chemie, 2025, v. 137, n. 1, p. 1, doi. 10.1002/ange.202413498
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- Article
Experimental Insights into the Formation, Reactivity, and Crosstalk of Thionitrite (SNO<sup>−</sup>) and Perthionitrite (SSNO<sup>−</sup>).
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- Angewandte Chemie, 2025, v. 137, n. 1, p. 1, doi. 10.1002/ange.202413092
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- Article
Biomathematical enzyme kinetics model of prebiotic autocatalytic RNA networks: degenerating parasite-specific hyperparasite catalysts confer parasite resistance and herald the birth of molecular immunity.
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- PLoS Computational Biology, 2025, v. 21, n. 1, p. 1, doi. 10.1371/journal.pcbi.1012162
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Numerical simulation of single bubble motion fragmentation mechanism in Venturi-type bubble generator.
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- Mechanics & Industry, 2024, v. 25, p. 1, doi. 10.1051/meca/2024016
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When Escitalopram is Surrounded by Ethanol: A DFT and QTAIM Approach to Analyze The Drug and The Alcohol Interactions and It’s Possible Outcomes.
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- Journal of Natural & Applied Sciences, 2024, v. 28, n. 3, p. 348, doi. 10.19113/sdufenbed.1471672
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- Article
Programming scheduled self-assembly of circadian materials.
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- Nature Communications, 2025, v. 16, p. 1, doi. 10.1038/s41467-024-55645-5
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Elementerätsel 1/2025: Gewinner, Ersatzspieler und Betrüger.
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- Nachrichten aus der Chemie, 2025, v. 73, n. 1, p. 107, doi. 10.1002/nadc.20254147672
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- Article
Back electron transfer.
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- Nachrichten aus der Chemie, 2025, v. 73, n. 1, p. 62, doi. 10.1002/nadc.20254146010
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Discovery of Isograndidentatin D, a Novel Phenolic Glycoside, and Anti- Helicobacter pylori Phenolics from Salix koreensis Twigs.
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- Plants (2223-7747), 2024, v. 13, n. 24, p. 3603, doi. 10.3390/plants13243603
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Experimental and Kinetic Study of Biochar in N-Absorption Reaction of Chemical Looping Ammonia Generation.
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- Processes, 2024, v. 12, n. 12, p. 2870, doi. 10.3390/pr12122870
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Quantum Mechanics/Molecular Mechanics Simulations for Chiral-Selective Aminoacylation: Unraveling the Nature of Life.
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- Computation, 2024, v. 12, n. 12, p. 238, doi. 10.3390/computation12120238
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Analysis of the Performance Improvement Mechanism of Foamed Rubber Asphalt Based on Micro and Macro Perspectives.
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- Coatings (2079-6412), 2024, v. 14, n. 12, p. 1541, doi. 10.3390/coatings14121541
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- Article
Wettability of Mold Flux with Various Droplet Size on Stainless Steel Substrate.
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- Steel Research International, 2025, v. 96, n. 1, p. 1, doi. 10.1002/srin.202400270
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- Article
Preparation and Characterization of Poly(acrylic acid-co-vinyl imidazole) Hydrogel-Supported Palladium Catalyst for Tsuji–Trost and Suzuki Reactions in Aqueous Media.
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- Gels (2310-2861), 2024, v. 10, n. 12, p. 758, doi. 10.3390/gels10120758
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- Article
Rapid Immobilisation of Chemical Reactions in Alkali-Activated Materials Using Solely Microwave Irradiation.
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- Minerals (2075-163X), 2024, v. 14, n. 12, p. 1219, doi. 10.3390/min14121219
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Numerical Study on Flow Channel Construction of Methanol Steam Reforming Reformer.
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- Catalysts (2073-4344), 2024, v. 14, n. 12, p. 913, doi. 10.3390/catal14120913
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Multi-Domain Data Integration for Plasma Diagnostics in Semiconductor Manufacturing Using Tri-CycleGAN.
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- Journal of Sensor & Actuator Networks, 2024, v. 13, n. 6, p. 75, doi. 10.3390/jsan13060075
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- Article
Magnetosensitivity of tightly bound radical pairs in cryptochrome is enabled by the quantum Zeno effect.
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- Nature Communications, 2024, v. 15, n. 1, p. 1, doi. 10.1038/s41467-024-55124-x
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- Article
Modifying terylene/cotton blend fabric with P(AMPS/NIPA) intelligent hydrogel by graft polymerization initiated with MLTP.
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- Journal of the Textile Institute, 2014, v. 105, n. 8, p. 878, doi. 10.1080/00405000.2013.860694
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Bacterial pathogenesis: Controlling Fic proteins.
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- Nature Reviews Microbiology, 2012, v. 10, n. 3, p. 160, doi. 10.1038/nrmicro2757
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- Article
The Mtb proteasome: an open and shut case.
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- Nature Reviews Microbiology, 2006, v. 4, n. 5, p. 325, doi. 10.1038/nrmicro1411
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- Article
INVESTIGATION OF TWO-ENZYME REACTION CHAIN KINETICS WITH ISOLATED AND COMPLEX INTERACTION BETWEEN THE ENZYMES IN PRESENCE OF AN IN-COMPETITIVE INHIBITOR USING COMPUTATIONAL MODELING.
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- Electronic Journal of Natural Sciences, 2009, v. 12, n. 1, p. 7
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- Article
SYNTHESIS OF THE HYDROCHLORIDES OF 1-(4-ETHOXYPHENYL)-1-ALKYL(ARYL)-2-(4'-CHLOROPHENYL)-3-MORPHOLINOPROPAN-1-OLS.
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- Electronic Journal of Natural Sciences, 2006, v. 7, n. 2, p. 7
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- Article
SOME TRANSFORMATIONS OF 2-HYDRAZINO-4-OXO-3,4,5,6-TETRAHYDROSPIRO(BENZO[h]QUINAZOLINE-5,1'-CYCLOHEXANE).
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- Electronic Journal of Natural Sciences, 2006, v. 6, n. 1, p. 34
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CORRELATION FUNCTION AND SPECTRAL DENSITY OF THE ENZYMATIC REACTION RATE.
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- Electronic Journal of Natural Sciences, 2005, v. 5, n. 2, p. 3
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Industrial Production of 2,3-Butanediol from the Engineered Corynebacterium glutamicum.
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- Applied Biochemistry & Biotechnology, 2015, v. 176, n. 8, p. 2303, doi. 10.1007/s12010-015-1719-7
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- Article