المؤلفون: Gabriel Biener, Tek Narsingh Malla, Peter Schwander, Marius Schmidt

المصدر: IUCrJ, Vol 11, Iss 3, Pp 405-422 (2024)

مصطلحات موضوعية: neural networks, time-resolved x-ray crystallography, machine learning, difference maps, electron density, kinetics, protein mechanisms, loss functions, reaction-rate coefficients, singular value decomposition, Crystallography, QD901-999

وصف الملف: electronic resource

Relation: http://scripts.iucr.org/cgi-bin/paper?S2052252524002392; https://doaj.org/toc/2052-2525

URL الوصول: https://doaj.org/article/d6ce2be8ef424e48aae8723d134785ca

المؤلفون: Gilles Dossche, Kevin De Ras, Joris W. Thybaut, Kevin M. Van Geem

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Molecular Biology, Evolutionary Biology, Computational Biology, Biological Sciences not elsewhere classified, sustainable transportation sector, reaction rate coefficients, potential novel type, larger ome molecules, reaching kinetic accuracy, kinetic group additivity, detailed kinetic models, quantum chemical results, various cyclic ethers, three estimation methods, larger omes based, three methods, cyclic ethers, kinetic parameters, various species, based upon, accurate estimation, unimolecular decomposition, trioxane derivatives, transition toward, terminal end, temperature oxidation, significant variations

Relation: https://figshare.com/articles/journal_contribution/Unimolecular_Decomposition_of_1_3-Dioxetane_and_1_3_5-Trioxane_Derivatives_Fast_and_Accurate_Estimation_of_Kinetic_Parameters/25403704

الاتاحة: https://doi.org/10.1021/acs.energyfuels.4c00465.s001

المؤلفون: Andriana Tsikritea (12025938), Jake A. Diprose (12025941), Jérôme Loreau (1585597), Brianna R. Heazlewood (12025944)

مصطلحات موضوعية: Biophysics, Biochemistry, Cell Biology, Immunology, Inorganic Chemistry, Plant Biology, Computational Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, Information Systems not elsewhere classified, sup >+, reaction rate coefficients, crossing point identified, ab initio <, two water isotopologues, charge transfer reactions, 2 , using capture theory, capture theory models, water isotopologues, charge transfer, capture theory, based models, theoretical studies, experimental findings, excellent agreement, driven mechanism, detailed experimental, always agree

Relation: https://figshare.com/articles/journal_contribution/Charge_Transfer_Reactions_between_Water_Isotopologues_and_Kr_sup_sup_ions/19100433

الاتاحة: https://doi.org/10.1021/acsphyschemau.1c00042.s001

المؤلفون: Martins, Fernanda B.V., Zhelyazkova, Valentina, Merkt, Frédéric

المصدر: New Journal of Physics, 24 (11)

مصطلحات موضوعية: Ion-molecule reaction, Cold chemistry, Reaction rate coefficients, Rydberg states, Charge-dipole interaction, Charge-quadrupole interaction, Merged beams

وصف الملف: application/application/pdf

Relation: info:eu-repo/semantics/altIdentifier/wos/000882163800001; info:eu-repo/grantAgreement/SNF/Exzellenzbeitrag in MINT/200478; info:eu-repo/grantAgreement/EC/H2020/743121; http://hdl.handle.net/20.500.11850/580726

الاتاحة: https://hdl.handle.net/20.500.11850/580726
https://doi.org/10.3929/ethz-b-000580726

المؤلفون: Fernanda B V Martins, Valentina Zhelyazkova, Frédéric Merkt

المصدر: New Journal of Physics, Vol 24, Iss 11, p 113003 (2022)

مصطلحات موضوعية: ion–molecule reaction, cold chemistry, reaction rate coefficients, Rydberg states, charge–dipole interaction, charge–quadrupole interaction, Science, Physics, QC1-999

Relation: https://doi.org/10.1088/1367-2630/ac8a0b; https://doaj.org/toc/1367-2630; https://doaj.org/article/020ad848d4a24e7994efa404111a687a

الاتاحة: https://doi.org/10.1088/1367-2630/ac8a0b
https://doaj.org/article/020ad848d4a24e7994efa404111a687a

المؤلفون: Fabrizio Esposito (547652), Iole Armenise (10720877)

مصطلحات موضوعية: Biochemistry, Immunology, Cancer, Computational Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, quasiclassical trajectory method, QCT, reliability, inelastic case, rate coefficients, dissociation, reaction rate coefficients, Molecular Oxygen Collisions

Relation: https://figshare.com/articles/journal_contribution/Reactive_Inelastic_and_Dissociation_Processes_in_Collisions_of_Atomic_Nitrogen_with_Molecular_Oxygen/14509121

الاتاحة: https://doi.org/10.1021/acs.jpca.0c09999.s001

المؤلفون: Tomasz Gierczak (1451455), François Bernard (1864897), Dimitrios K. Papanastasiou (2071669), James B. Burkholder (1600876)

مصطلحات موضوعية: Biophysics, Biochemistry, Cell Biology, Immunology, Inorganic Chemistry, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, degradation product results, carbon mass balance, RE, OH radical-initiated degradation, Temperature-Dependent OH Reaction R., molar yields, molecule, CO 2, C 5-dicarbonyl end-product, C 5 HF 7, 100 year time horizon, cm, gas-phase reaction, GWP, CH, Reaction rate coefficients, C 5 F 8, CF, Infrared absorption spectra

Relation: https://figshare.com/articles/journal_contribution/Atmospheric_Chemistry_of_i_c_i_C_sub_5_sub_HF_sub_7_sub_and_i_c_i_C_sub_5_sub_F_sub_8_sub_Temperature-Dependent_OH_Reaction_Rate_Coefficients_Degradation_Products_Infrared_Spectra_and_Global_Warming_Potentials/13628072

الاتاحة: https://doi.org/10.1021/acs.jpca.0c10561.s003

المؤلفون: Chen, Bingjie, Liu, Peng, Li, Zepeng, Hansen, Nils, Roberts, William L., Pitsch, Heinz

المساهمون: Clean Combustion Research Center, Mechanical Engineering Program, Physical Science and Engineering (PSE) Division, high-pressure combustion (HPC) Research Group, Institute for Combustion Technology, RWTH Aachen University, Templergraben 64, Aachen 52056, Germany, Combustion Research Facility, Sandia National Laboratory, Livermore, CA 94551, United States

مصطلحات موضوعية: Furan, Reaction pathway, Low temperature oxidation, Pathway analysis, Reaction rate coefficients

وصف الملف: application/pdf

Relation: https://linkinghub.elsevier.com/retrieve/pii/S0010218021002625; Chen, B., Liu, P., Li, Z., Hansen, N., Roberts, W. L., & Pitsch, H. (2021). Furan formation pathways exploration in low temperature oxidation of 1,3-butadiene, trans-2-butene, and cis-2-butene. Combustion and Flame, 232, 111519. doi:10.1016/j.combustflame.2021.111519; 2-s2.0-85107615049; Combustion and Flame; 111519; http://hdl.handle.net/10754/669711; 232

الاتاحة: http://hdl.handle.net/10754/669711
https://doi.org/10.1016/j.combustflame.2021.111519

المؤلفون: Luo, K, Nasiri, R

المصدر: Combustion and Flame , 193 pp. 170-176. (2018)

مصطلحات موضوعية: Conformational changes, Multi-pathway reactions, Reaction rate coefficients, Multi-structural statistical thermodynamics theory, Transition state theory

وصف الملف: text

Relation: https://discovery.ucl.ac.uk/id/eprint/10046453/1/Luo%202018%20CNF%20Brief.pdf; https://discovery.ucl.ac.uk/id/eprint/10046453/

الاتاحة: https://discovery.ucl.ac.uk/id/eprint/10046453/1/Luo%202018%20CNF%20Brief.pdf
https://discovery.ucl.ac.uk/id/eprint/10046453/

المؤلفون: Tomasz Gierczak, François Bernard, Dimitrios K. Papanastasiou, James B. Burkholder

مصطلحات موضوعية: Biophysics, Biochemistry, Cell Biology, Immunology, Inorganic Chemistry, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, degradation product results, carbon mass balance, RE, OH radical-initiated degradation, Temperature-Dependent OH Reaction R, molar yields, molecule, CO 2, C 5-dicarbonyl end-product, C 5 HF 7, 100 year time horizon, cm, gas-phase reaction, GWP, CH, Reaction rate coefficients, C 5 F 8, CF, Infrared absorption spectra, geo, socio

Relation: https://doi.org/10.1021/acs.jpca.0c10561.s002

الاتاحة: https://doi.org/10.1021/acs.jpca.0c10561.s002

المؤلفون: Aygün, Ahmet

المساهمون: Mühendislik Fakültesi, Çevre Mühendisliği, orcid:0000-0003-3472-6806, orcid:0000-0002-7126-6792, Sivri, Sabriye, Üstün, Gökhan Ekrem, AAG-8439-2021, GDM-4622-2022, 57214887126, 6602601167

مصطلحات موضوعية: Boron-doped diamond, Continuous electrooxidation, Nonylphenol ethoxylate-10 (NP10E), RSM, Electrochemical oxidation, Waste-water, Degradation-products, Aquatic environment, Landfill leachate, Sewage-sludge, Kinetics, Fate, Alkylphenols, Performance, Anodes, Boolean functions, Efficiency, Electrolysis, Electrooxidation, Phenols, Reaction rates, Sodium chloride, Sodium sulfate, Boron doped diamond, Boron-doped diamond anodes, Central composite designs, Nonylphenol ethoxylates, Optimal experimental conditions, Reaction rate coefficients, Response surface methodology

Relation: Makale - Uluslararası Hakemli Dergi; International Journal of Environmental Analytical Chemistry; Yurt içi; https://hdl.handle.net/11452/40021; 000513466900001; 456; 469; 102; https://doi.org/10.1080/03067319.2020.1723567

الاتاحة: https://hdl.handle.net/11452/40021
https://www.tandfonline.com/doi/full/10.1080/03067319.2020.1723567
https://doi.org/10.1080/03067319.2020.1723567

المؤلفون: Pickering, I. A.

مصطلحات موضوعية: 541, Reaction rate coefficients

URL الوصول: http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.377394

المؤلفون: Wakelam, V., Smith, I. W. M., Herbst, E., Troe, J., Geppert, Wolf D., Linnartz, H., Oeberg, K., Roueff, E., Agundez, M., Pernot, P., Cuppen, H. M., Loison, J. C., Talbi, D.

المصدر: Space Science Reviews. 156(04-jan):13-72

مصطلحات موضوعية: Astrochemistry, Reaction rate coefficients, Gas-phase chemistry, Grain-surface chemistry, Chemical modelling, Uncertainty propagation, Sensitivity analysis

وصف الملف: print

URL الوصول: https://urn.kb.se/resolve?urn=urn:nbn:se:su:diva-66256

المؤلفون: Fermín Huarte-Larrañaga, Noelia Faginas Lago, Antonio Laganà, Alessandro Costantini

المصدر: Computational Science and Its Applications – ICCSA 2009 ISBN: 9783642024566
ICCSA (2)

مصطلحات موضوعية: Computer science, Message Passing Interface, Semiclassical physics, semiclassical approaches, Partition function (mathematics), Grid, N + N2 reaction, grid implementation, Computational physics, Reaction rate, atom-diatom reaction rate coefficients, grid implementation, N + N2 reaction, atom-diatom reaction rate coefficients, semiclassical approaches, Code (cryptography), Computer Science::Distributed, Parallel, and Cluster Computing

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::308cd051b6f0404a5383bd90b84fcefd
http://hdl.handle.net/11391/1367155

المساهمون: Krinberg, I

المصدر: Geomagn. Aeron. (USSR) (Engl. Transl.) 11: No. 2, 296-9(1971).; Other Information: Orig. Receipt Date: 31-DEC-72; Other Information: Translated from Geomagn. Aeron.; 11: No. 2, 351-3(1971).

وصف الملف: Medium: X

URL الوصول: http://www.osti.gov/scitech/biblio/4730891

المساهمون: Legen'ka, A

المصدر: Geomagn. Aeron. (USSR) (Engl. Transl.) 9: 807-12 (1969).; Other Information: Orig. Receipt Date: 31-DEC-70; Other Information: Translated from Geomagn. Aeron.; 9: 1002-8(1969).

وصف الملف: Medium: X

URL الوصول: http://www.osti.gov/scitech/biblio/4118422

المؤلفون: Jean-Christophe Loison, Ian W. M. Smith, Wolf D. Geppert, Jürgen Troe, Karin I. Öberg, Harold Linnartz, Eric Herbst, Valentine Wakelam, Pascal Pernot, Marcelino Agúndez, Evelyne Roueff, Herma M. Cuppen, D. Talbi

المساهمون: AMOR 2010, Laboratoire d'astrodynamique, d'astrophysique et d'aéronomie de bordeaux (L3AB), Université Sciences et Technologies - Bordeaux 1-Institut national des sciences de l'Univers (INSU - CNRS)-Centre National de la Recherche Scientifique (CNRS)-Université Sciences et Technologies - Bordeaux 1-Institut national des sciences de l'Univers (INSU - CNRS)-Centre National de la Recherche Scientifique (CNRS)-Observatoire aquitain des sciences de l'univers (OASU), Université Sciences et Technologies - Bordeaux 1-Institut national des sciences de l'Univers (INSU - CNRS)-Centre National de la Recherche Scientifique (CNRS)-Centre National de la Recherche Scientifique (CNRS)-Laboratoire d'Astrophysique de Bordeaux [Pessac] (LAB), Université de Bordeaux (UB)-Institut national des sciences de l'Univers (INSU - CNRS)-Centre National de la Recherche Scientifique (CNRS)-Université de Bordeaux (UB), Ohio State University [Columbus] (OSU), Institute of Physical Chemistry, University of G¨ottingen, Georg-August-University [Göttingen], Laboratoire Univers et Théories (LUTH (UMR_8102)), Institut national des sciences de l'Univers (INSU - CNRS)-Observatoire de Paris, PSL Research University (PSL)-PSL Research University (PSL)-Université Paris Diderot - Paris 7 (UPD7)-Centre National de la Recherche Scientifique (CNRS), Laboratoire de Chimie Physique D'Orsay (LCPO), Université Paris-Sud - Paris 11 (UP11)-Centre National de la Recherche Scientifique (CNRS), Radboud university [Nijmegen], Laboratoire Univers et Particules de Montpellier (LUPM), Université de Montpellier (UM)-Université Montpellier 2 - Sciences et Techniques (UM2)-Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3)-Centre National de la Recherche Scientifique (CNRS), Laboratoire d'Astrophysique de Bordeaux [Pessac] (LAB), Université de Bordeaux (UB)-Institut national des sciences de l'Univers (INSU - CNRS)-Centre National de la Recherche Scientifique (CNRS), Observatoire aquitain des sciences de l'univers (OASU), Université Sciences et Technologies - Bordeaux 1-Institut national des sciences de l'Univers (INSU - CNRS)-Centre National de la Recherche Scientifique (CNRS), Université Sciences et Technologies - Bordeaux 1, Institute of Physical Chemistry, Georg-August-Universität Göttingen, Laboratoire de Chimie Physique, Centre Universitaire Paris-Sud-Centre National de la Recherche Scientifique (CNRS), Université Paris-Sud - Paris 11 (UP11), Groupe de Recherche en Astronomie et Astrophysique du Languedoc (GRAAL), Université Montpellier 2 - Sciences et Techniques (UM2)-Institut national des sciences de l'Univers (INSU - CNRS)-Centre National de la Recherche Scientifique (CNRS), University chemical laboratories, University Chemical Laboratories, Institut für Physikalische Chemie [Göttingen], Max-Planck-Institut für Biophysikalische Chemie - Max Planck Institute for Biophysical Chemistry [Göttingen], Max-Planck-Gesellschaft, Stockholm University (Department of Physics), Stockholm University, Sackler laboratory for Astrophysics, Leiden Observatory [Leiden], Universiteit Leiden [Leiden]-Universiteit Leiden [Leiden], Harvard-Smithsonian Center for Astrophysics (CfA), Smithsonian Institution-Harvard University [Cambridge], Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Centre National de la Recherche Scientifique (CNRS)-Université Paris Diderot - Paris 7 (UPD7), Université Paris-Sud - Paris 11 (UP11)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Institut des Sciences Moléculaires (ISM), Université Montesquieu - Bordeaux 4-Université Sciences et Technologies - Bordeaux 1-École Nationale Supérieure de Chimie et de Physique de Bordeaux (ENSCPB)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université Paris Diderot - Paris 7 (UPD7)-Centre National de la Recherche Scientifique (CNRS)

المصدر: Space Science Reviews
Space Science Reviews, Springer Verlag, 2010, 156 (1-4), pp.13-72
Space Science Reviews 2010
Space Science Reviews 2010, 2010, Online First, ⟨10.1007/s11214-010-9712-5⟩
Space Science Reviews, Springer Verlag, 2010, 156 (1-4), ⟨10.1007/s11214-010-9712-5⟩

مصطلحات موضوعية: Hydrogen, chemistry.chemical_element, FOS: Physical sciences, Astrophysics, 010402 general chemistry, 01 natural sciences, Physics, Extraterrestrial Physics, Space Sciences, Astrophysics and Astroparticles, Planetology, Aerospace Technology and Astronautics, 0103 physical sciences, Radiative transfer, Astrochemistry, Reaction rate coefficients, Gas-phase chemistry, Grain-surface chemistry, Chemical modelling, Uncertainty propagation, Sensitivity analysis, 010303 astronomy & astrophysics, Dissociative recombination, ComputingMilieux_MISCELLANEOUS, Astrophysics::Galaxy Astrophysics, Cosmic dust, Molecular cloud, Astronomy and Astrophysics, Circumstellar envelope, Astrophysics - Astrophysics of Galaxies, Accretion (astrophysics), 0104 chemical sciences, Interstellar medium, [PHYS.ASTR.GA]Physics [physics]/Astrophysics [astro-ph]/Galactic Astrophysics [astro-ph.GA], chemistry, Space and Planetary Science, Astrophysics of Galaxies (astro-ph.GA), [SDU.ASTR.GA]Sciences of the Universe [physics]/Astrophysics [astro-ph]/Galactic Astrophysics [astro-ph.GA], [PHYS.ASTR]Physics [physics]/Astrophysics [astro-ph]

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5a6a5795613c7f54c6457d641ffd66a6
http://resolver.sub.uni-goettingen.de/purl?gs-1/7368

المساهمون: Fite, W

المصدر: Other Information: UNCL. Orig. Receipt Date: 31-DEC-69

وصف الملف: Medium: X; Size: Pages: 37

URL الوصول: http://www.osti.gov/scitech/biblio/4775859

المؤلفون: Koji Yasuhara, Kouichi Murata, Mariko Takeda, Toshiko Nakamura, Tomohiro Fuchigami, Katsuhiko Terashima (omwb

المساهمون: The Pennsylvania State University CiteSeerX Archives

المصدر: http://dhigroup.com/upload/publications/mikenet/Nagatani_Residual_Chlorine.pdf.

مصطلحات موضوعية: Distribution System, Extended Period Simulation, Pipe Wall Reaction, Reaction Rate Coefficients, EPANET

وصف الملف: application/pdf

Relation: http://citeseerx.ist.psu.edu/viewdoc/summary?doi=10.1.1.587.1337; http://dhigroup.com/upload/publications/mikenet/Nagatani_Residual_Chlorine.pdf

الاتاحة: http://citeseerx.ist.psu.edu/viewdoc/summary?doi=10.1.1.587.1337
http://dhigroup.com/upload/publications/mikenet/Nagatani_Residual_Chlorine.pdf

المؤلفون: Salawitch, R.

مصطلحات موضوعية: reaction rate coefficients absorption cross sections NASA Panel for Data Evaluation stratospheric photochemistry

وصف الملف: 34497 bytes; application/pdf

Relation: Spring 1999 AGU Meeting; U.S.A.; 99-0967; http://hdl.handle.net/2014/17512

الاتاحة: http://hdl.handle.net/2014/17512