المؤلفون: Francesco Mambretti, Umberto Raucci, Manyi Yang, Michele Parrinello

مصطلحات موضوعية: Biophysics, Biochemistry, Biotechnology, Sociology, Infectious Diseases, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, pure lithium imide, previous study simulating, played crucial roles, many catalysts suggested, >- quality simulations, ab initio <, stoichiometric lithium imide, reacting ammonia molecules, better catalytic performances, >), structural disorder enhanced, 2 , x <, stoichiometric compounds, enhanced reactivity, compositional disorder, catalytic process, ammonia decomposition, 2 –<, topmost layers, surface dynamics, recent past, quite promising

Relation: https://figshare.com/articles/journal_contribution/How_Does_Structural_Disorder_Impact_Heterogeneous_Catalysts_The_Case_of_Ammonia_Decomposition_on_Non-stoichiometric_Lithium_Imide/24974334

الاتاحة: https://doi.org/10.1021/acscatal.3c05376.s001
https://figshare.com/articles/journal_contribution/How_Does_Structural_Disorder_Impact_Heterogeneous_Catalysts_The_Case_of_Ammonia_Decomposition_on_Non-stoichiometric_Lithium_Imide/24974334

المؤلفون: Aarti Shukla, Gautam Sharma, Sailaja Krishnamurty

مصطلحات موضوعية: Biophysics, Biochemistry, Neuroscience, Biotechnology, Evolutionary Biology, Computational Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, present work establishes, offer enhanced reactivity, density functional theory, 15 × 10, viz ., mbenes, hydrogen evolution reaction, build effective mbenes, best alternative electrocatalysts, computational screening single, efficient hydrogen production, ni, stability toward sustainable, 2 , embedded single tm, excellent electrocatalytic activity, efficient electrocatalysts, hydrogen adsorption, electrocatalytic processes, implanted mbenes, sacs embedded, ∼ 125

Relation: https://figshare.com/articles/journal_contribution/Single-Atom-Catalyst-Implanted_MBenes_as_Efficient_Electrocatalysts_for_Hydrogen_Evolution_Reaction_as_Realized_through_Computational_Screening/25050602

الاتاحة: https://doi.org/10.1021/acsaenm.3c00732.s001
https://figshare.com/articles/journal_contribution/Single-Atom-Catalyst-Implanted_MBenes_as_Efficient_Electrocatalysts_for_Hydrogen_Evolution_Reaction_as_Realized_through_Computational_Screening/25050602

المؤلفون: Carlos Mateos, Susana García-Cerrada, Pablo García-Losada, Oscar de Frutos

مصطلحات موضوعية: Biochemistry, Medicine, Molecular Biology, Evolutionary Biology, Sociology, Developmental Biology, Cancer, Infectious Diseases, Space Science, Environmental Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, thus enhanced reactivity, substituted chiral epoxides, reduced headspace contributes, highly volatile nature, cyclopropane formation process, 100 g scale, sealed vessels, risks associated, point reactants, multigram synthesis, liquid phase, line workup, higher concentration, harsh conditions, good yields, continuous flow, >) required

Relation: https://figshare.com/articles/journal_contribution/Multigram_Synthesis_of_Chiral_Cyclopropane_Carboxylic_Acids_via_Tandem_Diastereoselective_Wadsworth_Emmons_Cyclopropanation-Hydrolysis_in_Continuous_Flow/25101258

الاتاحة: https://doi.org/10.1021/acs.oprd.3c00444.s001
https://figshare.com/articles/journal_contribution/Multigram_Synthesis_of_Chiral_Cyclopropane_Carboxylic_Acids_via_Tandem_Diastereoselective_Wadsworth_Emmons_Cyclopropanation-Hydrolysis_in_Continuous_Flow/25101258

المؤلفون: Yang, Bing, Wu, Haifan, Schnier, Paul D, Liu, Yansheng, Liu, Jun, Wang, Nanxi, DeGrado, William F, Wang, Lei

المصدر: Proceedings of the National Academy of Sciences of the United States of America. 115(44)

مصطلحات موضوعية: Escherichia coli, Fluorides, Sulfur Compounds, Succinimides, Amino Acids, Lysine, Proteins, Cross-Linking Reagents, Mass Spectrometry, chemical cross-linker, cross-linking mass spectrometry, protein–protein interaction, proximity-enhanced reactivity, sulfur–fluoride exchange, Generic health relevance, sulfur-fluoride exchange, protein-protein interaction

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/3r7735xs

المؤلفون: Hosseinnejad Tayebeh, Omrani-Pachin Marzieh

المصدر: Heterocyclic Communications, Vol 27, Iss 1, Pp 142-154 (2021)

مصطلحات موضوعية: strain-promoted cycloadditions, enhanced reactivity, bioorthogonal reactions, density functional theory, quantum theory of atoms in molecules, Organic chemistry, QD241-441

وصف الملف: electronic resource

Relation: https://doaj.org/toc/2191-0197

URL الوصول: https://doaj.org/article/afd5768be1004be397942e948bbf522b

المؤلفون: Yong Li, Reena Singh, Arup Sinha, George C. Lisensky, Matti Haukka, Justin Nilsson, Solomon Yiga, Serhiy Demeshko, Sophie Jana Gross, Sebastian Dechert, Ana Gonzalez, Giliandro Farias, Ola F. Wendt, Franc Meyer, Ebbe Nordlander

مصطلحات موضوعية: Biophysics, Biochemistry, Pharmacology, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, oxygen rebound process, oxygen atom transfer, ligand field strengths, hydrogen atom transfer, exhibit enhanced reactivity, ceric ammonium nitrate, around 700 nm, n4py ligand framework, 4b , 4a , 3b , 3a , 2a , 1a , catalytic reactions involving, ii , wave potentials (<, n4py )]< sup, two pyridyl arms, reactivity toward h, order rate constants, cn )]< sup, methanamine (< b, four pentadentate ligands, 2 +

Relation: https://figshare.com/articles/journal_contribution/Nonheme_Fe_sup_IV_sup_O_Complexes_Supported_by_Four_Pentadentate_Ligands_Reactivity_toward_H-_and_O-_Atom_Transfer_Processes/24480879

الاتاحة: https://doi.org/10.1021/acs.inorgchem.3c02526.s001
https://figshare.com/articles/journal_contribution/Nonheme_Fe_sup_IV_sup_O_Complexes_Supported_by_Four_Pentadentate_Ligands_Reactivity_toward_H-_and_O-_Atom_Transfer_Processes/24480879

المؤلفون: Nadia G. Léonard (3217272), Teera Chantarojsiri (1341540), Joseph W. Ziller (1340067), Jenny Y. Yang (836297)

مصطلحات موضوعية: Biophysics, Biochemistry, Pharmacology, Biotechnology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, transient imido complexes, mn ­( vi, impart enhanced reactivity, alter energy landscapes, accessing wide ranges, 3 +, 2 +, spans 4 units, salen nitrido without, salen nitrido complexes, sup >+, manganese ­( v, hydrogen atom bdfe, , , units across, >< sub, n <, k <, e <, similar fields, results suggest, reduction potentials

Relation: https://figshare.com/articles/journal_contribution/Cationic_Effects_on_the_Net_Hydrogen_Atom_Bond_Dissociation_Free_Energy_of_High-Valent_Manganese_Imido_Complexes/18665672

الاتاحة: https://doi.org/10.1021/jacs.1c09583.s001

المؤلفون: Ken Yamazaki (38171), Supriya Rej (3547988), Yusuke Ano (1583398), Naoto Chatani (1364754)

مصطلحات موضوعية: Biophysics, Biochemistry, Molecular Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, various imine substrates, reversible complexation process, destabilizing strain energies, benzaldehyde derivatives using, 3 , ortho <, recently developed, reaction pathway, organoboron reagents, extensive investigation, enhanced reactivity, efficient strategy, added base

Relation: https://figshare.com/articles/journal_contribution/Origin_of_the_Enhanced_Reactivity_in_the_i_ortho_i_C_H_Borylation_of_Benzaldehydes_with_BBr_sub_3_sub_/17430618

الاتاحة: https://doi.org/10.1021/acs.orglett.1c03829.s001

المؤلفون: Tatsuya Morofuji (1665568), Shota Nagai (11205830), Youhei Chitose (4012781), Manabu Abe (362853), Naokazu Kano (1349628)

مصطلحات موضوعية: Biophysics, Biochemistry, Neuroscience, Sociology, Infectious Diseases, Space Science, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, dearomative cycloaddition, results show, olefins, energy transfer, Triplet State, role, Protonation-Enhanced Reactivity, bicyclic azaarenes, Dearomative Photocycloaddition, quinoline

Relation: https://figshare.com/articles/journal_contribution/Protonation-Enhanced_Reactivity_of_Triplet_State_in_Dearomative_Photocycloaddition_of_Quinolines_to_Olefins/15079007

الاتاحة: https://doi.org/10.1021/acs.orglett.1c02026.s001

المؤلفون: Michael Häfner (8905712), Thomas Bredow (1234419)

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Cell Biology, Physiology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, investigated theoretically concerning, driving force behind, dissociated h atoms, defective potassium chloride, possible reaction pathways, halide surfaces reduces, adsorbed nitrogen molecule, 2 , adsorbed nitrogen, sodium chloride, f <, nitrogen activation, triple bond, transition structures, surface cations, strong reduction, reduced n, gas phase, frontier orbitals, enhanced reactivity, determining barriers, attractive interaction

Relation: https://figshare.com/articles/journal_contribution/Nitrogen_Activation_on_Defective_Potassium_Chloride_and_Sodium_Chloride/16845066

الاتاحة: https://doi.org/10.1021/acs.jpcc.1c07467.s001

المؤلفون: Mary O. Olagunju (7483910), Elsayed M. Zahran (1578418), Elnaz Zeynaloo (10276498), Dharmendra Shukla (8823203), Joshua L. Cohn (2674762), Bapurao Surnar (1443421), Shanta Dhar (442273), Leonidas G. Bachas (1578415), Marc R. Knecht (1283121)

مصطلحات موضوعية: Microbiology, Neuroscience, Biotechnology, Ecology, Immunology, Inorganic Chemistry, Computational Biology, Space Science, fully characterized via, final material composition, facilitating electron transfer, structures remain limited, 3 , driven photocatalytic reactivity, based photocatalytic reactivity, sustainable production method, sustainable environmental remediation, exploit visible light, environmental remediation, sustainable application, optimized visible, enhanced visible, photocatalytic materials, optimize reactivity, enhanced reactivity, subsequently employed, significant integration, low temperature, facile routes, direct route

Relation: https://figshare.com/articles/journal_contribution/Design_of_Pd-Decorated_SrTiO_sub_3_sub_BiOBr_Heterojunction_Materials_for_Enhanced_Visible-Light-Based_Photocatalytic_Reactivity/16743786

الاتاحة: https://doi.org/10.1021/acs.langmuir.1c01537.s001

المؤلفون: Jia Liu (41593), Peng Wu (210686), Shengheng Yan (10756925), Yuanyuan Li (18671), Zexing Cao (1470190), Binju Wang (1419697)

مصطلحات موضوعية: Biophysics, Biochemistry, Microbiology, Cell Biology, Molecular Biology, Physiology, Pharmacology, Evolutionary Biology, Ecology, Cancer, Science Policy, Computational Biology, Chemical Sciences not elsewhere classified, spin-dependent inner-sphere electro., Nonheme Diiron Monooxygenase MIOX, spin-regulated inner-sphere electro., Fe sites, O 2 binding, substrate myo-inositol, MI-OOH, Pauli principle, calculations show, O 2 activation, exchange-enhanced reactivity, nonheme diiron monooxygenases, MD, nonheme diiron monooxygenase myo-in., QM

Relation: https://figshare.com/articles/journal_contribution/Spin-Regulated_Inner-Sphere_Electron_Transfer_Enables_Efficient_O_O_Bond_Activation_in_Nonheme_Diiron_Monooxygenase_MIOX/14548454

الاتاحة: https://doi.org/10.1021/acscatal.1c00898.s001

المؤلفون: Cooper, Alasdair K., Leonard, David K., Bajo, Sonia, Burton, Paul M., Nelson, David J.

مصطلحات موضوعية: Additives, Aldehydes, Amides, Catalysis, Ketones, Nickel, Carbonyl groups, Catalytic reactions, Competition reactions, Cross coupling reactions, Cross-coupled, Enhanced reactivity, Oxidative additions, Suzuki-Miyaura reaction, Coordination reactions

Time: 540

وصف الملف: application/pdf

الاتاحة: https://oa.tib.eu/renate/handle/123456789/6711
https://doi.org/10.34657/5758

المؤلفون: Comba, Peter, Löhr, Anna‐Maria, Pfaff, Florian, Ray, Kallol

مصطلحات موضوعية: exchange enhanced reactivity, high-valent metal-oxido complexes, reduction potential, non heme iron, late transition metals, 540 Chemie und zugeordnete Wissenschaften, ddc:540

وصف الملف: application/pdf

Relation: http://edoc.hu-berlin.de/18452/23661; urn:nbn:de:kobv:11-110-18452/23661-1; http://dx.doi.org/10.18452/22994

الاتاحة: http://edoc.hu-berlin.de/18452/23661
https://nbn-resolving.org/urn:nbn:de:kobv:11-110-18452/23661-1
https://doi.org/10.1002/ijch.202000038
https://doi.org/10.18452/22994

المؤلفون: Tayebeh Hosseinnejad, Marzieh Omrani-Pachin

المصدر: Heterocyclic Communications, Vol 27, Iss 1, Pp 142-154 (2021)

مصطلحات موضوعية: QD241-441, Organic chemistry, strain-promoted cycloadditions, enhanced reactivity, quantum theory of atoms in molecules, density functional theory, bioorthogonal reactions

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::af9aa9e1e4c52bda2bc3ed6103a86837
https://doaj.org/article/afd5768be1004be397942e948bbf522b

المؤلفون: Hill, Terrell L., Levitzki, Alexander

المصدر: Proceedings of the National Academy of Sciences of the United States of America, 1980 Oct 01. 77(10), 5741-5745.

URL الوصول: https://www.jstor.org/stable/9403

المؤلفون: Paul D. Schnier, Nanxi Wang, William F. DeGrado, Haifan Wu, Lei Wang, Bing Yang, Jun Liu, Yansheng Liu

المصدر: Proceedings of the National Academy of Sciences of the United States of America, vol 115, iss 44

مصطلحات موضوعية: 0301 basic medicine, Lysis, Stereochemistry, Succinimides, 010402 general chemistry, Mass spectrometry, 01 natural sciences, Mass Spectrometry, protein-protein interaction, 03 medical and health sciences, chemistry.chemical_compound, Fluorides, Nucleophile, Succinimide, Escherichia coli, Amino Acids, chemistry.chemical_classification, Sulfonyl, Multidisciplinary, Sulfur Compounds, Aryl, Lysine, cross-linking mass spectrometry, Proteins, chemical cross-linker, 0104 chemical sciences, Amino acid, sulfur-fluoride exchange, 030104 developmental biology, Cross-Linking Reagents, protein–protein interaction, chemistry, Reagent, Physical Sciences, proximity-enhanced reactivity, sulfur–fluoride exchange, Generic health relevance

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e92134801776eafaddda0d000d95f8f9
https://escholarship.org/uc/item/3r7735xs

المؤلفون: Abhishek Kaushik, Azaj Ansari, Gopalan Rajaraman

المصدر: Journal of the American Chemical Society. 135:4235-4249

مصطلحات موضوعية: Models, Molecular, Dioxygen Activation, Transition-Metal-Complexes, Oxidative phosphorylation, Hydroxylation, O-O Bond, Ferric Compounds, Electronic-Structure, Biochemistry, Catalysis, chemistry.chemical_compound, Colloid and Surface Chemistry, Density-Functional Theory, Computational chemistry, medicine, Organic chemistry, Effective Core Potentials, General Chemistry, Oxidants, Peroxides, chemistry, Mechanism (philosophy), Exchange-Enhanced Reactivity, Electrophile, Potential energy surface, Spin-State Energetics, Thermodynamics, Ferric, C-H Hydroxylation, Density functional theory, Alkane Hydroxylation, Dispersion (chemistry), Oxidation-Reduction, Iron Compounds, medicine.drug

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::be58c7816f259805b4ecb695fd2a4ea8
https://doi.org/10.1021/ja307077f

المؤلفون: Vincenzo Busico, Luca Rocchigiani, Alceo Macchioni, Antonello Pastore

المساهمون: Rocchiagini, L., Busico, Vincenzo, Pastore, A., Macchioni, L.

مصطلحات موضوعية: METHYL GROUP EXCHANGES, HAFNOCENE COMPLEXES, Inorganic chemistry, CHAIN-TRANSFER POLYMERIZATION, 010402 general chemistry, 01 natural sciences, Medicinal chemistry, Catalysis, Inorganic Chemistry, Cyclopentadienyl complex, OLEFIN POLYMERIZATION CATALYSTS, Reactivity (chemistry), PROPENE POLYMERIZATION, Physical and Theoretical Chemistry, MOLECULAR-WEIGH, SI-H, 010405 organic chemistry, Chemistry, Ligand, Organic Chemistry, Chain transfer, Nuclear magnetic resonance spectroscopy, ETHYLENE POLYMERIZATION, 0104 chemical sciences, C-H BONDS, Polymerization, ENHANCED REACTIVITY, Transalkylation

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0a3ab9ea74e8abf91162cba77cef233c
https://ueaeprints.uea.ac.uk/id/eprint/71486/

المؤلفون: Jihn Koo Lee, Jin Miyawaki, Joo Il Park, Isao Mochida, Seong Ho Yoon, Young Kwang Kim

المصدر: Fuel. 90:182-189

مصطلحات موضوعية: Alkylation, 1-Methyl naphthalene, Catalyst deactivation, Paraffins, Paraffin waxes, X ray photoelectron spectroscopy, General Chemical Engineering, Aromatic hydrocarbons, High resolution transmission electron microscopy, Catalyst supports, Medicinal chemistry, As deactivation, chemistry.chemical_compound, USY zeolites, Enhanced reactivity, Tetralin, Benzene, Zeolite, chemistry.chemical_classification, Tetralins, LCO, Organic solvents, Fuel Technology, NiMoS catalysts, Bulk phase, Conversion reactions, Zeolite surfaces, Hydrocracking, X ray diffraction, Inorganic chemistry, Energy Engineering and Power Technology, Weak acids, Mo oxides, Catalysis, Coke formation, Alumina-coated zeolite, Decalin, Alkyl, Naphthalene, Ring opening reaction, (Alkyl)benzenes, Organic Chemistry, Ring opening, Molybdenum oxide, Physical mixtures, chemistry, Silicate minerals, Methyl naphthalene, Acidic properties, Acids

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::299adff4362fb492f0f254027f09ac87
https://doi.org/10.1016/j.fuel.2010.09.002