المؤلفون: Rebecca L. Caravan, M. Anwar H. Khan, Judit Zádor, Leonid Sheps, Ivan O. Antonov, Brandon Rotavera, Krupa Ramasesha, Kendrew Au, Ming-Wei Chen, Daniel Rösch, David L. Osborn, Christa Fittschen, Coralie Schoemaecker, Marius Duncianu, Asma Grira, Sebastien Dusanter, Alexandre Tomas, Carl J. Percival, Dudley E. Shallcross, Craig A. Taatjes

المصدر: Nature Communications, Vol 9, Iss 1, Pp 1-9 (2018)

مصطلحات موضوعية: Science

وصف الملف: electronic resource

Relation: https://doaj.org/toc/2041-1723

URL الوصول: https://doaj.org/article/60d11ecd7e2b4310bd5443260780c27c

المؤلفون: Miranda F. Shaw, Bálint Sztáray, Lisa K. Whalley, Dwayne E. Heard, Dylan B. Millet, Meredith J. T. Jordan, David L. Osborn, Scott H. Kable

المصدر: Nature Communications, Vol 9, Iss 1, Pp 1-7 (2018)

مصطلحات موضوعية: Science

وصف الملف: electronic resource

Relation: https://doaj.org/toc/2041-1723

URL الوصول: https://doaj.org/article/7f096c4e0fca4600b0291c13acfeec05

المؤلفون: Michael F. Vansco, Kristen Zuraski, Frank A. F. Winiberg, Kendrew Au, Nisalak Trongsiriwat, Patrick J. Walsh, David L. Osborn, Carl J. Percival, Stephen J. Klippenstein, Craig A. Taatjes, Marsha I. Lester, Rebecca L. Caravan

المصدر: Molecules, Vol 26, Iss 10, p 3058 (2021)

مصطلحات موضوعية: reaction intermediates, oxidation reactions, reaction pathways, kinetics, mass spectrometry, ionization, Organic chemistry, QD241-441

وصف الملف: electronic resource

Relation: https://www.mdpi.com/1420-3049/26/10/3058; https://doaj.org/toc/1420-3049

URL الوصول: https://doaj.org/article/5e2f640e42d04a00a54f4cb34d6e410f

المؤلفون: Anastassia N. Alexandrova, Julie S. Biteen, Sonia Coriani, Franz M. Geiger, Andrew A. Gewirth, Gillian R. Goward, Hua Guo, Libai Huang, Jian-Feng Li, Tim Liedl, Stephan Link, Zhi-Pan Liu, Sudipta Maiti, Andrew J. Orr-Ewing, David L. Osborn, Jim Pfaendtner, Benoît Roux, Friederike Schmid, J. R. Schmidt, William F. Schneider, Lyudmila V. Slipchenko, Gemma C. Solomon, Jeroen A. van Bokhoven, Veronique Van Speybroeck, Shen Ye, T. Daniel Crawford, Martin T. Zanni, Gregory V. Hartland, Joan-Emma Shea

مصطلحات موضوعية: Biophysics, Biochemistry, Biotechnology, Evolutionary Biology, Ecology, Inorganic Chemistry, Science Policy, Virology, Information Systems not elsewhere classified, emerging researchers

Relation: https://figshare.com/articles/journal_contribution/Early-Career_and_Emerging_Researchers_in_Physical_Chemistry_Volume_2/24486097

الاتاحة: https://doi.org/10.1021/acs.jpcb.3c06596.s001
https://figshare.com/articles/journal_contribution/Early-Career_and_Emerging_Researchers_in_Physical_Chemistry_Volume_2/24486097

المؤلفون: Jaeyoung Cho, Daniel Rösch, Yujie Tao, David L. Osborn, Stephen J. Klippenstein, Leonid Sheps, Raghu Sivaramakrishnan

مصطلحات موضوعية: Biophysics, Biochemistry, Pharmacology, Cancer, Inorganic Chemistry, Plant Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, resolved species profiles, radical decomposition products, included chlorine chemistry, excimer laser photolysis, 94 × 10, 71 × 10, 67 × 10, 45 × 10, present study characterizes, kinetic parameters determined, mf → hcl, r5 ), respectively, larger methyl esters, h atom abstraction, calculated branching fractions, bimolecular reactions ch, thermal dissociation kinetics, abstraction reactions cl, mf  ch, theory , 3

Relation: https://figshare.com/articles/journal_contribution/Modeling_Experiment_Theory_Analysis_of_Reactions_Initiated_from_Cl_Methyl_Formate/24524972

الاتاحة: https://doi.org/10.1021/acs.jpca.3c05085.s001
https://figshare.com/articles/journal_contribution/Modeling_Experiment_Theory_Analysis_of_Reactions_Initiated_from_Cl_Methyl_Formate/24524972

المؤلفون: Rebecca L. Caravan, Michael F. Vansco, Kendrew Au, M. Anwar H. Khan, Yu-Lin Li, Frank A. F. Winiberg, Kristen Zuraski, Yen-Hsiu Lin, Wen Chao, Nisalak Trongsiriwat, Patrick J. Walsh, David L. Osborn, Carl J. Percival, Jim Jr-Min Lin, Dudley E. Shallcross, Leonid Sheps, Stephen J. Klippenstein, Craig A. Taatjes, Marsha I. Lester

المصدر: Proceedings of the National Academy of Sciences. 117(18):9733-9740

URL الوصول: https://ntrs.nasa.gov/citations/14653461096976

المؤلفون: Daniel Rösch, Gregory H. Jones, Raybel Almeida, Rebecca L. Caravan, Aileen Hui, Amelia W. Ray, Carl J. Percival, Stanley P. Sander, Matthew D. Smarte, Frank A. F. Winiberg, Mitchio Okumura, David L. Osborn

المصدر: The Journal of Physical Chemistry A. 127:3221-3230

مصطلحات موضوعية: Physical and Theoretical Chemistry

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::49db09483e5266db6ddd24e70a0744c6
https://doi.org/10.1021/acs.jpca.3c00356

المؤلفون: Daniel Rösch, Yifei Xu, Hua Guo, Xixi Hu, David L. Osborn

المصدر: The Journal of Physical Chemistry Letters. 14:3084-3091

مصطلحات موضوعية: General Materials Science, Physical and Theoretical Chemistry

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::6f49ade3d24b786bf270152442e3ec00
https://doi.org/10.1021/acs.jpclett.3c00077

المؤلفون: Talitha M. Selby, Fabien Goulay, Satchin Soorkia, Amelia Ray, Ahren W. Jasper, Stephen J. Klippenstein, Alexander N. Morozov, Alexander M. Mebel, John D. Savee, Craig A. Taatjes, David L. Osborn

المصدر: The Journal of Physical Chemistry A. 127:2577-2590

مصطلحات موضوعية: Physical and Theoretical Chemistry

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::eb6769bf2ae72b96c730e955613161bf
https://doi.org/10.1021/acs.jpca.2c08121

المؤلفون: Michael F. Vansco (7355060), Meijun Zou (11873212), Ivan O. Antonov (1566961), Krupa Ramasesha (2204956), Brandon Rotavera (1303167), David L. Osborn (1235793), Yuri Georgievskii (1369341), Carl J. Percival (1600972), Stephen J. Klippenstein (1273260), Craig A. Taatjes (1290228), Marsha I. Lester (544384), Rebecca L. Caravan (5519237)

مصطلحات موضوعية: Biophysics, Biochemistry, Cell Biology, Infectious Diseases, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, submerged barrier (<, experimental data support, energetically downhill reactions, f12 // b2plyp, exhibit strong conformer, strong conformer dependence, 3 , theoretically predicted 1, conformer dependence, dramatic conformer, )- f12, via <, syn <, anti <, ∼ 34, substituent dependencies, rate coefficient, level theory, insertion mechanism, correction ], ccsd ­(, carbonyl oxides, acetaldehyde oxide, >) mechanisms

Relation: https://figshare.com/articles/journal_contribution/Dramatic_Conformer-Dependent_Reactivity_of_the_Acetaldehyde_Oxide_Criegee_Intermediate_with_Dimethylamine_i_Via_i_a_1_2-Insertion_Mechanism/17430664

الاتاحة: https://doi.org/10.1021/acs.jpca.1c08941.s001

المؤلفون: Kacee L. Caster (6888116), Talitha M. Selby (1367097), David L. Osborn (1235793), Sebastien D. Le Picard (6440147), Fabien Goulay (1262052)

مصطلحات موضوعية: Biophysics, Biochemistry, Cell Biology, Physiology, Pharmacology, Ecology, Infectious Diseases, Environmental Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, fractions support benzene, C 6 H 6, C 6 H 7, CH cycloaddition, C 6 H 6 isomers, bond, insertion, Master Equation calculations, c-C 5 H 6, cyclopentadiene, multiplexed photoionization mass sp.

Relation: https://figshare.com/articles/journal_contribution/Product_Detection_of_the_CH_X_sup_2_sup_Radical_Reaction_with_Cyclopentadiene_A_Novel_Route_to_Benzene/15142020

الاتاحة: https://doi.org/10.1021/acs.jpca.1c03517.s001

المؤلفون: Daniel Rösch (11371624), Rebecca L. Caravan (5519237), Craig A. Taatjes (1290228), Kendrew Au (8747418), Raybel Almeida (11371627), David L. Osborn (1235793)

مصطلحات موضوعية: Biochemistry, Medicine, Cell Biology, Pharmacology, Biotechnology, Geology, Ecology, Immunology, Marine Biology, Chemical Sciences not elsewhere classified, measured cross sections, 5 ± 1, 1 ± 1, 9 – 9, 9 mb, 9 ev, whereas autoionization, vinyl alcohol, steady rise, simplest enol, recorded via, mainly ionized, higher signal, energy range, direct ionization, 6 ev, 308 nm, 205 ev

Relation: https://figshare.com/articles/journal_contribution/Absolute_Photoionization_Cross_Section_of_the_Simplest_Enol_Vinyl_Alcohol/16553815

الاتاحة: https://doi.org/10.1021/acs.jpca.1c05825.s001

المؤلفون: Craig A. Taatjes (1290228), Rebecca L. Caravan (5519237), Frank A. F. Winiberg (8747415), Kristen Zuraski (3211554), Kendrew Au (8747418), Leonid Sheps (1304283), David L. Osborn (1235793), Luc Vereecken (1745497), Carl J. Percival (1600972)

مصطلحات موضوعية: Biophysics, Biochemistry, Molecular Biology, Physiology, Inorganic Chemistry, Infectious Diseases, Plant Biology, Virology, Computational Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Carbonyl oxides, Criegee intermediates, tropospheric chemistry, photoionisation, kinetic isotope effect

Relation: https://figshare.com/articles/journal_contribution/Insertion_products_in_the_reaction_of_carbonyl_oxide_Criegee_intermediates_with_acids_Chloro_hydroperoxy_methane_formation_from_reaction_of_CH_sub_2_sub_OO_with_HCl_and_DCl/16627807

الاتاحة: https://doi.org/10.6084/m9.figshare.16627807.v1

المؤلفون: Krupa Ramasesha (2204956), John D. Savee (710152), Judit Zádor (1292451), David L. Osborn (1235793)

مصطلحات موضوعية: Biophysics, Biochemistry, Microbiology, Inorganic Chemistry, Infectious Diseases, Environmental Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, technique enabled measurement, pvtz // ωb97x, previously unidentified experimentally, hydrogen transfer occurring, greater effective degree, calculations provide evidence, 351 nm photolysis, energy crossing points, work also suggests, orthogonal acceleration time, flight mass spectrometer, significant intersystem crossing, 2 , initial triplet adduct, connect triplet surfaces, 3 , 41 %), acrolein, 37 %), intersystem crossing, 3 %)

Time: 1

Relation: https://figshare.com/articles/journal_contribution/A_New_Pathway_for_Intersystem_Crossing_Unexpected_Products_in_the_O_sup_3_sup_P_Cyclopentene_Reaction/16926077

الاتاحة: https://doi.org/10.1021/acs.jpca.1c05817.s001

المؤلفون: John D. Savee (710152), Bálint Sztáray (1299822), Oliver Welz (1292460), Craig A. Taatjes (1290228), David L. Osborn (1235793)

مصطلحات موضوعية: Biophysics, Biochemistry, Genetics, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, reference species, HCO product, DCO, photoionization spectrum, autoionizing features, photoionization cross-section measu., 11 meV FWHM photoionization energy ., PI, Mb, Formyl Radical, δ 3 p, photoionization energy resolution, 308 nm photolysis, cross-section measurements, 11.5 eV, H 2 CO reaction, Valence Photoionization, δ 3, quantum defects, isoelectronic species, autoionizing resonances, 3 p Rydberg states

Relation: https://figshare.com/articles/journal_contribution/Valence_Photoionization_and_Autoionization_of_the_Formyl_Radical/14519806

الاتاحة: https://doi.org/10.1021/acs.jpca.1c01775.s001

المؤلفون: Kacee L. Caster, James Lee, Zachery Donnellan, Talitha M. Selby, David L. Osborn, Fabien Goulay

المصدر: The Journal of Physical Chemistry A. 126:9031-9041

مصطلحات موضوعية: Physical and Theoretical Chemistry

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5942417ad745d80611ce0a494d1c8ed6
https://doi.org/10.1021/acs.jpca.2c06934

المؤلفون: Daniel Rösch, Raybel Almeida, Bálint Sztáray, David L. Osborn

المصدر: The Journal of Physical Chemistry A. 126:1761-1774

مصطلحات موضوعية: Physical and Theoretical Chemistry

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b6ce52a427cec371c9362f16eb148718
https://doi.org/10.1021/acs.jpca.1c10293

المؤلفون: Michael P. Burke, Piergiorgio Casavecchia, Carlo Cavallotti, David C. Clary, Anna Doner, William H. Green, Alon Grinberg Dana, Hua Guo, David Heathcote, Majdi Hochlaf, Stephen J. Klippenstein, Keith T. Kuwata, Joseph E. Lawrence, Upakarasamy Lourderaj, Alexander M. Mebel, Dennis Milesevic, Amy S. Mullin, Thanh Lam Nguyen, Matthias Olzmann, Andrew J. Orr-Ewing, David L. Osborn, Tobias M. Pazdera, Patrick A. Robertson, Matthew S. Robinson, Brandon Rotavera, Paul W. Seakins, Robin J. Shannon, Oisin J. Shiels, Arthur G. Suits, Adam J. Trevitt, Jürgen Troe, Claire Vallance, Oliver Welz, Feng Zhang, Judit Zádor

المصدر: Faraday Discussions. 238:320-354

مصطلحات موضوعية: Physical and Theoretical Chemistry

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a55305e1f7abff470917098b75cbf42b
https://doi.org/10.1039/d2fd90049a

المؤلفون: Dmitri Babikov, Michael P. Burke, Piergiorgio Casavecchia, William H. Green, Alon Grinberg Dana, Hua Guo, Dwayne E. Heard, David Heathcote, Majdi Hochlaf, Ahren W. Jasper, Stephen J. Klippenstein, Marsha I. Lester, Carles Martí, Alexander M. Mebel, Amy S. Mullin, Thanh Lam Nguyen, Matthias Olzmann, Andrew J. Orr-Ewing, David L. Osborn, Patrick A. Robertson, Matthew S. Robinson, Robin J. Shannon, Oisin J. Shiels, Arthur G. Suits, Craig A. Taatjes, Jürgen Troe, Xuefei Xu, Xiaoqing You, Feng Zhang, Rui Ming Zhang, Judit Zádor

المصدر: Faraday Discussions. 238:121-143

مصطلحات موضوعية: Physical and Theoretical Chemistry

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::648e11609433cde218ecaabd5f9b4258
https://doi.org/10.1039/d2fd90048c

المؤلفون: Michael F. Vansco, Meijun Zou, Ivan O. Antonov, Krupa Ramasesha, Brandon Rotavera, David L. Osborn, Yuri Georgievskii, Carl J. Percival, Stephen J. Klippenstein, Craig A. Taatjes, Marsha I. Lester, Rebecca L. Caravan

المصدر: The Journal of Physical Chemistry A. 126:710-719

مصطلحات موضوعية: Physical and Theoretical Chemistry

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::0f1f379e3c4014a481c39c1297c6f5d2
https://doi.org/10.1021/acs.jpca.1c08941