المؤلفون: Andrzej Mianowski, Mateusz Szul, Tomasz Radko, Aleksander Sobolewski, Tomasz Iluk

المصدر: Energies, Vol 17, Iss 19, p 5007 (2024)

مصطلحات موضوعية: methane, thermo-catalytic decomposition, thermodynamics, kinetics, elementary reaction, KCE, Technology

وصف الملف: electronic resource

Relation: https://www.mdpi.com/1996-1073/17/19/5007; https://doaj.org/toc/1996-1073

URL الوصول: https://doaj.org/article/336c8fc8e2004bc78471c912936423d6

المؤلفون: Mohammadamin Tavakoli, Ryan J. Miller, Mirana Claire Angel, Michael A. Pfeiffer, Eugene S. Gutman, Aaron D. Mood, David Van Vranken, Pierre Baldi

مصطلحات موضوعية: Biochemistry, Medicine, Genetics, Molecular Biology, Biotechnology, Evolutionary Biology, Immunology, Developmental Biology, Inorganic Chemistry, Plant Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, https :// deeprxn, machine learning models, elementary reaction steps, balanced elementary steps, upload chemical reactions, standardized data representation, publicly available databases, online interactive database, driven applications including, publicly accessible, public database, interpretable models, databases tend, accessible online, underlying chemistry, pushing mechanisms, public availability

Relation: https://figshare.com/articles/journal_contribution/PMechDB_A_Public_Database_of_Elementary_Polar_Reaction_Steps/25408025

الاتاحة: https://doi.org/10.1021/acs.jcim.3c01810.s001

المؤلفون: HUO Xiaoquan, KOU Yimin, YAN Zhenguo, FAN Zhihai, HE Yanpeng

المصدر: Gong-kuang zidonghua, Vol 48, Iss 2, Pp 77-82 (2022)

مصطلحات موضوعية: gas explosion, gas explosion pressure, gas explosion overpressure, gas explosion temperature, elementary reaction, temperature sensitivity, free radicals, Mining engineering. Metallurgy, TN1-997

وصف الملف: electronic resource

Relation: https://doaj.org/toc/1671-251X

URL الوصول: https://doaj.org/article/ad1a264d7242409f8b1b91efd9a94152

المؤلفون: Nawras Abidi, Amit Sahu, Pascal Raybaud, Stephan N. Steinmann

مصطلحات موضوعية: Biophysics, Biochemistry, Cell Biology, Biotechnology, Evolutionary Biology, Cancer, Infectious Diseases, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, stable working state, protonation step instead, partial desulfurization leads, moderate thermodynamic overpotentials, hydrogen evolution reaction, elementary reaction step, electrocatalytic hydrogen generation, continuum solvation strategy, undercoordinated molybdenum sites, 8 , 7 , 3 , 2 , formed hydrated mo, coupled electron transfer, 2h – mos, 9 , x <, )< sub, 9 –<, edge sites

Relation: https://figshare.com/articles/journal_contribution/Electrochemical_Potential-Dependent_Stability_and_Activity_of_MoS_sub_3_sub_during_the_Hydrogen_Evolution_Reaction/24539065

الاتاحة: https://doi.org/10.1021/acscatal.3c03292.s001
https://figshare.com/articles/journal_contribution/Electrochemical_Potential-Dependent_Stability_and_Activity_of_MoS_sub_3_sub_during_the_Hydrogen_Evolution_Reaction/24539065

المؤلفون: Siyu Xia, Weipeng Li, Hongliang Chen, Chengjian Zhu, Jie Han, Jin Xie

مصطلحات موضوعية: Biochemistry, Molecular Biology, Neuroscience, Physiology, Evolutionary Biology, Environmental Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, sup >•, structurally diverse heterodinuclear, redox couple chemistry, radical oxidative addition, mechanistic studies together, important step toward, divergent reductive coupling, dft calculations support, bimetallic redox coupling, readily afford azoxybenzenes, mild reaction conditions, co )< sub, 5 , 10 , gold redox coupling, gold chemistry research, readily constructed, elementary reaction, wide range, robust strategy, organometallic features, free au

Relation: https://figshare.com/articles/journal_contribution/Gold_Manganese_Bimetallic_Redox_Coupling_with_Light/24713849

الاتاحة: https://doi.org/10.1021/jacs.3c08796.s001
https://figshare.com/articles/journal_contribution/Gold_Manganese_Bimetallic_Redox_Coupling_with_Light/24713849

المؤلفون: Zhenghai Yang (9345478), Bing-Jian Sun (1652638), Chao He (466651), Jin-Qi Li (13639551), Agnes H. H. Chang (3105678), Ralf I. Kaiser (1793893)

مصطلحات موضوعية: Biophysics, Biotechnology, Developmental Biology, Computational Biology, Environmental Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, bearing systems showing, 160 kj mol, 3 , germanium critically impacts, 2 , isovalent carbon system, 1 , single carbon atom, 1 ‑ germavinylidene, isovalent counterpart, thermodynamic stability, singlet surface, reaction commences, prepared via, phase synthesis, phase preparation, molecular structure, intersystem crossing, germanium analogue, elementary reaction, collision conditions, chemical bonding

Relation: https://figshare.com/articles/journal_contribution/Gas-Phase_Preparation_of_1_Germavinylidene_H_sub_2_sub_CGe_X_sup_1_sup_A_sub_1_sub_the_Isovalent_Counterpart_of_Vinylidene_H_sub_2_sub_CC_X_sup_1_sup_A_sub_1_sub_via_Non-adiabatic_Dynamics_through_the_Elementary_Reaction_of_Ground_State_Ato/21842852

الاتاحة: https://doi.org/10.1021/acs.jpclett.2c03749.s001

المؤلفون: Daisuke Takei (8708436), Takafumi Yatabe (5159441), Tomohiro Yabe (4752174), Ray Miyazaki (6697025), Jun-ya Hasegawa (1533862), Kazuya Yamaguchi (747868)

مصطلحات موضوعية: Biophysics, Biochemistry, Cell Biology, Science Policy, Computational Biology, Environmental Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, true active site, phase organic reactions, pdo nanospecies dispersed, brønsted base simultaneously, selective aerobic α, ii )–( μ, experimental evidence suggests, detailed characterizations demonstrated, calculated results reproduced, 12 , pd atom acts, oxo species acts, bimetallic nanoparticles formed, elementary reaction level, dehydrogenation activity increased, 2 , 1 , using several ceo, au nanoparticle core, experimental results, selective formation, detailed characterization

Relation: https://figshare.com/articles/journal_contribution/C_H_Bond_Activation_Mechanism_by_a_Pd_II_-O_Au_0_Structure_Unique_to_Heterogeneous_Catalysts/18426207

الاتاحة: https://doi.org/10.1021/jacsau.1c00433.s001

المؤلفون: Price, S, Armenta Butt, S

المصدر: Physical Chemistry Chemical Physics (2021) (In press).

مصطلحات موضوعية: Dication, electron transfer, reaction dynamics, bond-forming chemistry, elementary reaction

وصف الملف: text

Relation: https://discovery.ucl.ac.uk/id/eprint/10126678/3/Price_d1cp00918d.pdf; https://discovery.ucl.ac.uk/id/eprint/10126678/

الاتاحة: https://discovery.ucl.ac.uk/id/eprint/10126678/3/Price_d1cp00918d.pdf
https://discovery.ucl.ac.uk/id/eprint/10126678/

المؤلفون: Yun Min Song (11577023), Hyukpyo Hong (11577026), Jae Kyoung Kim (9554026)

مصطلحات موضوعية: Biophysics, Biochemistry, Biotechnology, Cancer, Plant Biology, Biological Sciences not elsewhere classified, Mathematical Sciences not elsewhere classified, Information Systems not elsewhere classified, universally valid reduction, serious errors occur, morrison equations ), g ., michaelis, elementary reaction functions, stochastic simulations due, source computational package, rapid reversible bindings, efficient stochastic simulations, elementary propensities distort, elementary propensities based, unlike deterministic systems, universally valid framework, deterministic total qssa, derive alternative non, elementary propensities, deterministic systems, derive propensities, elementary reactions, stochastic low, stochastic dynamics

Relation: https://figshare.com/articles/journal_contribution/Supplementary_Methods_Tables_A-F_and_Figs_A-C_/16828106

الاتاحة: https://doi.org/10.1371/journal.pcbi.1008952.s001

المؤلفون: Yukihiko OKUMURA, 奥村 幸彦

المصدر: 日本溶射学会誌 溶射 / Journal of Japan Thermal Spray Society. 2022, 59(3):175

المؤلفون: Satoshi Maeda, Yosuke Sumiya, Yuuya Nagata, Yu Harabuchi

المصدر: JACS Au

مصطلحات موضوعية: Quantum chemical, Materials science, Kinetics, reaction path, Tracing, reaction path network, reaction discovery, Chemical physics, Elementary reaction, Back-reaction, Reaction path, quantum chemical calculation, potential energy surface, Combinatorial explosion, TRACE (psycholinguistics), inverse search

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::406a1189d11a615b25f7925c6f35e237
http://hdl.handle.net/2115/86210

المؤلفون: Meng Li, Kara J. Stowers, Lu-Cun Wang, Zheng Zhou, Bin Hua, Dong Ding

المصدر: Catalysis Today. :403-409

مصطلحات موضوعية: Materials science, Doping, Alloy, 02 engineering and technology, General Chemistry, engineering.material, 010402 general chemistry, 021001 nanoscience & nanotechnology, Photochemistry, 01 natural sciences, Catalysis, 0104 chemical sciences, chemistry.chemical_compound, chemistry, Elementary reaction, engineering, Molecule, Redistribution (chemistry), Density functional theory, Methanol, 0210 nano-technology

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::cf4af7dcd08caf3ccdfa554665f908dc
https://doi.org/10.1016/j.cattod.2020.04.059

المؤلفون: Li-Hui Mou, Qing-Yu Liu, Xiao-Na Li, Jiao-Jiao Chen, Sheng-Gui He

المصدر: Journal of Materials Chemistry A. 10:6031-6037

مصطلحات موضوعية: Materials science, Renewable Energy, Sustainability and the Environment, Component (thermodynamics), Oxide, chemistry.chemical_element, General Chemistry, Photochemistry, Mass spectrometry, Rhodium, Catalysis, chemistry.chemical_compound, chemistry, Aluminium, Elementary reaction, General Materials Science, NOx

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::dad2cc4354b50e76efae1116dc4b12f6
https://doi.org/10.1039/d1ta04911a

المؤلفون: Zhichuan J. Xu, Chao Wei

المصدر: Chinese Journal of Catalysis. 43:148-157

مصطلحات موضوعية: chemistry.chemical_compound, Reaction mechanism, Materials science, chemistry, Chemical physics, Proton transport, Elementary reaction, Oxygen evolution, Hydroxide, Water splitting, Grotthuss mechanism, General Medicine, Electrolyte

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::714f85d68063e40f135cb00061b11356
https://doi.org/10.1016/s1872-2067(21)63821-4

المؤلفون: Yang Qiu, Yuyan Shao, Xiaohong Xie, Wenzhen Li

المصدر: Chinese Journal of Catalysis. 42:2094-2104

مصطلحات موضوعية: chemistry.chemical_classification, Tafel equation, Reaction mechanism, Base (chemistry), Hydrogen, Inorganic chemistry, chemistry.chemical_element, General Medicine, Electrocatalyst, Catalysis, chemistry.chemical_compound, chemistry, Elementary reaction, Hydroxide

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::f5a8a83e13352a2d7ed027aa3c7c4203
https://doi.org/10.1016/s1872-2067(21)64088-3

المؤلفون: Alexis T. Bell, Jeroen Van der Mynsbrugge

المصدر: Journal of Catalysis. 404:832-849

مصطلحات موضوعية: Chemistry, Thermodynamics, Chemical Engineering, Physical Chemistry, Catalysis, Transition state, Active center, Entropy (classical thermodynamics), Adsorption, Elementary reaction, Density functional theory, Physical and Theoretical Chemistry, Zeolite, Basis set, Physical Chemistry (incl. Structural)

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8c9940f095605740a2729a7d70af563d
https://doi.org/10.1016/j.jcat.2021.08.048

المؤلفون: Wenlong Dong, Bingbing Qiu, Huaqiang Chu, Tao Jin

المصدر: Journal of the Energy Institute. 99:127-136

مصطلحات موضوعية: chemistry.chemical_compound, Heptane, chemistry, Elementary reaction, Carbon dioxide, Analytical chemistry, CHEMKIN, Combustion, Mole fraction, Stoichiometry, Adiabatic flame temperature

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::dabdd0504fb2fec04befaeb4d339f9f6
https://doi.org/10.1016/j.joei.2021.08.011

المؤلفون: Joseph W. Bozzelli, Edward R. Ritter

المصدر: Proceeding of Data For Discovery.

مصطلحات موضوعية: Arrhenius equation, Chemistry, Organic Chemistry, Thermodynamics, CHEMKIN, Biochemistry, Chemical reaction, Bond-dissociation energy, Gibbs free energy, Inorganic Chemistry, symbols.namesake, Entropy (classical thermodynamics), Elementary reaction, symbols, Physical and Theoretical Chemistry, Equilibrium constant

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::30e23767dc5166ba3679d584f359039b
https://doi.org/10.1615/1-56700-002-9.400

المؤلفون: Xiaobo Shen, Chung K. Law, Peng Zhao, Xueliang Yang

المصدر: The Journal of Physical Chemistry A. 125:10223-10234

مصطلحات موضوعية: Reaction rate, Chemistry, Statistics, Elementary reaction, Range (statistics), Statistical inference, Sampling (statistics), Sensitivity (control systems), Physical and Theoretical Chemistry, Uncertainty quantification, Regression

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::2e7236f843f7298b106a4a0e9ed17010
https://doi.org/10.1021/acs.jpca.1c08250

المؤلفون: Éva Valkó, István Gy. Zsély, Tamas Varga, Tibor Nagy, Marton Kovacs, Tamás Turányi, Máté Papp

المصدر: Combustion Theory and Modelling. 26:67-90

مصطلحات موضوعية: Materials science, Basis (linear algebra), General Chemical Engineering, Continuous reactor, General Physics and Astronomy, Energy Engineering and Power Technology, macromolecular substances, General Chemistry, Mechanics, Combustion, Differential entropy, Fuel Technology, Modeling and Simulation, Elementary reaction, Physics::Chemical Physics

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::3e96a37776a8bc976de77b2f39cc864a
https://doi.org/10.1080/13647830.2021.1992506