المؤلفون: Nunez-Reyes, Dianailys, Hickson, Kevin M., Loison, Jean-Christophe, Spada, Rene F. K., Vichietti, Rafael M., Machado, Francisco B. C., Haiduke, Roberto L. A.

مصطلحات موضوعية: Astrophysics - Astrophysics of Galaxies, Physics - Chemical Physics

URL الوصول: http://arxiv.org/abs/2012.01234

المؤلفون: Pinto, César H., Vieira, Isabela S., Spada, Rene F. K.

المصدر: Journal of Molecular Modeling; Jan2025, Vol. 31 Issue 1, p1-13, 13p

مصطلحات موضوعية: CHEMICAL kinetics, CHEMICAL structure, PHYSICAL & theoretical chemistry, INTERSTELLAR medium, ELECTRONIC structure

المؤلفون: do Monte, Silmar A., Spada, Rene F. K., Alves, Rodolpho L. R., Belcher, Lachlan, Shepard, Ron, Lischka, Hans, Plasser, Felix

المساهمون: Basic Energy Sciences, Conselho Nacional de Desenvolvimento Cient?fico e Tecnol?gico, National Institute of Science and Technology on Molecular Sciences

المصدر: The Journal of Physical Chemistry A ; volume 127, issue 46, page 9842-9852 ; ISSN 1089-5639 1520-5215

الاتاحة: http://dx.doi.org/10.1021/acs.jpca.3c05559
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.3c05559

المؤلفون: Gomes, Alexandre C R, Spada, Rene F K, Lefloch, Bertrand, Galvão, Breno R L

المساهمون: Coordenação de Aperfeiçoamento de Pessoal de Nível Superior, Conselho Nacional de Desenvolvimento Científico e Tecnológico, Fundação de Amparo à Pesquisa do Estado de Minas Gerais

المصدر: Monthly Notices of the Royal Astronomical Society ; volume 518, issue 4, page 5991-5996 ; ISSN 0035-8711 1365-2966

الاتاحة: https://doi.org/10.1093/mnras/stac3460
https://academic.oup.com/mnras/advance-article-pdf/doi/10.1093/mnras/stac3460/47309179/stac3460.pdf
https://academic.oup.com/mnras/article-pdf/518/4/5991/47887700/stac3460.pdf

المؤلفون: Spada, Rene F. K., Franco, Maurício P., Nieman, Reed, Aquino, Adelia J. A., Shepard, Ron, Plasser, Felix, Lischka, Hans

المساهمون: Fundação de Amparo à Pesquisado Estado de Sào Paulo, Conselho Nacional de Desenvolvimento Científico e Tecnológico, Coordenação de Aperfeiçoamento de Pessoal de Nível Superior, US Department of Energy, Argonne National Laboratory, National Science Foundation, Division of Chemistry

المصدر: Molecular Physics ; volume 121, issue 11-12 ; ISSN 0026-8976 1362-3028

الاتاحة: http://dx.doi.org/10.1080/00268976.2022.2091049
https://www.tandfonline.com/doi/pdf/10.1080/00268976.2022.2091049

المؤلفون: Pinto, César H., Vieira, Isabela S., Spada, Rene F. K.

المساهمون: Conselho Nacional de Desenvolvimento Científico e Tecnológico, Fundação de Amparo à Pesquisa do Estado de São Paulo

المصدر: Journal of Molecular Modeling ; volume 31, issue 1 ; ISSN 1610-2940 0948-5023

الاتاحة: https://doi.org/10.1007/s00894-024-06241-3
https://link.springer.com/content/pdf/10.1007/s00894-024-06241-3.pdf
https://link.springer.com/article/10.1007/s00894-024-06241-3/fulltext.html

المؤلفون: Lischka, Hans, Shepard, Ron, Müller, Thomas, Szalay, Peter, G., Pitzer, Russell, M, Aquino, Adélia, Araújo Do Nascimento, Mayzza, M, Barbatti, Mario, Belcher, Lachlan, T, Blaudeau, Jean-Philippe, Borges, Itamar, Brozell, Scott, Carter, Emily, A, Das, Anita, Gidofalvi, Gergely, González, Leticia, Hase, William, L., Kedziora, Gary, Kertesz, Miklos, Kossoski, Fábris, Machado, Francisco, B C, Matsika, Spiridoula, Do Monte, Silmar, A, Nachtigallova, Dana, Nieman, Reed, Oppel, Markus, Parish, Carol, A, Plasser, Felix, Spada, Rene, F K, Stahlberg, Eric, Ventura, Elizete, Yarkony, David, R, Zhang, Zhiyong

المساهمون: Institute for theoretical Chemistry, University of Vienna Vienna, Argonne National Laboratory Lemont (ANL), Max-Planck-Institut für Extraterrestrische Physik (MPE), Institute of Chemistry Budapest, Faculty of Sciences Budapest, Eötvös Loránd University (ELTE)-Eötvös Loránd University (ELTE), Ohio State University Columbus (OSU), Tianjin University (TJU), Universidade Federal da Paraiba / Federal University of Paraiba (UFPB), Institut de Chimie Radicalaire (ICR), Aix Marseille Université (AMU)-Institut de Chimie - CNRS Chimie (INC-CNRS)-Centre National de la Recherche Scientifique (CNRS), US Air Force Academy, Limited Liability Company (LLC), Instituto Militar de Engenharia=Military Institute of Engineering (IME), University of California (UC), Department of Computer Science and Automation Bangalore (CSA), Indian Institute of Science Bangalore (IISc Bangalore), Gonzaga University, institut für Theoretische Chemie, Universität Wien, Universität Wien = University of Vienna, Department of Chemistry & Biochemistry, Texas Tech University Lubbock (TTU), Wright-Patterson Air Force Base, United States Air Force (USAF), Georgetown University Washington (GU), Instituto Tecnológico de Aeronáutica São José dos Campos (ITA), Temple University Philadelphia, Pennsylvania Commonwealth System of Higher Education (PCSHE), Czech Academy of Sciences Prague (CAS), University of Richmond, Loughborough University, PCMB and Plant Biotechnology Center, Johns Hopkins University (JHU), Shanghai public Health Clinical Center, Shanghai Medical College of Fudan University, R.S. and S.R.B. were supported by the U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division, Gas Phase Chemical Physics Program, through Argonne National Laboratory under Contract No. DE-AC02-06CH11357. E.A.C. is grateful for support from the U.S. Department of Energy, Office of Science, Offices of Basic Energy Sciences and Advanced Scientific Computing Research, Scientific Discovery through Advanced Computing, via Award No. DE-AC02-05CH11231. S.M. was funded by the Department of Energy, Award No. DEFG02-08ER15983. L.T.B. was funded by the High-Energy Laser Joint Technology Office, Albuquerque, NM. D.R.Y was supported by the US Department of Energy (Grant No. DE-SC0015997). C.P. acknowledges support from the Department of Energy (Grant No. DE-SC0001093), the National Science Foundation (Grant Nos. CHE-1213271 and CHE-18800014), and the donors of the American Chemical Society Petroleum Research Fund. P.G.S. was supported by the National Research, Innovation and Development Fund (NKFIA), Grant No. 124018. H.L. and A.J.A.A. are grateful for support from the School of Pharmaceutical Science and Technology (SPST), Tianjin University, Tianjin, China, including computer time on the SPST computer cluster Arran., ANR-10-EQPX-0010,PERINAT,Collections biologiques originales reliées aux données cliniques et d'imagerie en périnatalité(2010), ANR-17-CE05-0005,WSPLIT,Dissociation photo induite de l'eau par chromophores organiques(2017), ANR-11-IDEX-0001,Amidex,INITIATIVE D'EXCELLENCE AIX MARSEILLE UNIVERSITE(2011)

المصدر: ISSN: 0021-9606.

مصطلحات موضوعية: [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry

Relation: hal-02612344; https://amu.hal.science/hal-02612344; https://amu.hal.science/hal-02612344/document; https://amu.hal.science/hal-02612344/file/p143_lischka_columbus_jcp_2020.pdf

الاتاحة: https://amu.hal.science/hal-02612344
https://amu.hal.science/hal-02612344/document
https://amu.hal.science/hal-02612344/file/p143_lischka_columbus_jcp_2020.pdf
https://doi.org/10.1063/1.5144267

المؤلفون: Silva, Silvia G S, Vichietti, Rafael M, Haiduke, Roberto L A, Machado, Francisco B C, Spada, Rene F K

المساهمون: Fundação de Amparo à Pesquisa do Estado de São Paulo, Conselho Nacional de Desenvolvimento Científico e Tecnológico

المصدر: Monthly Notices of the Royal Astronomical Society ; volume 497, issue 4, page 4486-4494 ; ISSN 0035-8711 1365-2966

الاتاحة: https://doi.org/10.1093/mnras/staa2244
http://academic.oup.com/mnras/advance-article-pdf/doi/10.1093/mnras/staa2244/33573835/staa2244.pdf
http://academic.oup.com/mnras/article-pdf/497/4/4486/33680677/staa2244.pdf

المؤلفون: Vichietti, Rafael M., Spada, Rene F. K., da Silva, Albérico B. F., Machado, Francisco B. C., Haiduke, Roberto L. A.

المساهمون: Conselho Nacional de Desenvolvimento Cient?fico e Tecnol?gico, Funda??o de Amparo ? Pesquisa do Estado de S?o Paulo

المصدر: ACS Omega ; volume 4, issue 18, page 17843-17849 ; ISSN 2470-1343 2470-1343

الاتاحة: http://dx.doi.org/10.1021/acsomega.9b02530
http://pubs.acs.org/doi/pdf/10.1021/acsomega.9b02530
https://pubs.acs.org/doi/pdf/10.1021/acsomega.9b02530

المؤلفون: Ferreira, Rhayla Mendes, Roberto-Neto, Orlando, Machado, Francisco B. C., Spada, Rene F. K.

المساهمون: Conselho Nacional de Desenvolvimento Cient?fico e Tecnol?gico, Funda??o de Amparo ? Pesquisa do Estado de S?o Paulo

المصدر: The Journal of Physical Chemistry A ; volume 123, issue 4, page 967-969 ; ISSN 1089-5639 1520-5215

الاتاحة: http://dx.doi.org/10.1021/acs.jpca.8b10115
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.8b10115

المؤلفون: do Monte, Silmar A., Spada, Rene F. K., Alves, Rodolpho L. R., Belcher, Lachlan, Shepard, Ron, Lischka, Hans, Plasser, Felix

المصدر: Journal of Physical Chemistry A; 11/23/2023, Vol. 127 Issue 46, p9842-9852, 11p

المؤلفون: Spada, Rene F. K., Franco, Maurício P., Nieman, Reed, Aquino, Adelia J. A., Shepard, Ron, Plasser, Felix, Lischka, Hans

المصدر: Molecular Physics; Jun2023, Vol. 121 Issue 11/12, p1-17, 17p

مصطلحات موضوعية: UNITARY groups, DENSITY matrices, EQUATIONS

مصطلحات جغرافية: COLUMBUS (Ohio)

المؤلفون: Franco, Maurício P., Carvalho, Beatriz B., Ribeiro, Marcos A., Spada, Rene F. K.

المصدر: ChemistrySelect ; volume 7, issue 10 ; ISSN 2365-6549 2365-6549

الاتاحة: http://dx.doi.org/10.1002/slct.202104006
https://onlinelibrary.wiley.com/doi/pdf/10.1002/slct.202104006
https://onlinelibrary.wiley.com/doi/full-xml/10.1002/slct.202104006

المؤلفون: Vichietti, Rafael M., Spada, Rene F. K., Machado, Francisco B. C., Haiduke, Roberto L. A.

المساهمون: Fundação de Amparo à Pesquisa do Estado de São Paulo, Conselho Nacional de Desenvolvimento Científico e Tecnológico

المصدر: Journal of Molecular Modeling ; volume 28, issue 8 ; ISSN 1610-2940 0948-5023

الاتاحة: http://dx.doi.org/10.1007/s00894-022-05207-7
https://link.springer.com/content/pdf/10.1007/s00894-022-05207-7.pdf
https://link.springer.com/article/10.1007/s00894-022-05207-7/fulltext.html

المؤلفون: Gomes, Alexandre C R, Spada, Rene F K, Lefloch, Bertrand, Galvão, Breno R L

المصدر: Monthly Notices of the Royal Astronomical Society; Feb2023, Vol. 518 Issue 4, p5991-5996, 6p

مصطلحات موضوعية: NITRIDES, PHOSPHORUS, ARRHENIUS equation, LEAD, INTERSTELLAR medium

المؤلفون: Petty, Corey¹, Spada, Rene F. K.², Machado, Francisco B. C.¹, Poirier, Bill³ bill.poirier@ttu.edu

المصدر: Journal of Chemical Physics. 7/14/2018, Vol. 149 Issue 2, pN.PAG-N.PAG. 16p. 1 Diagram, 5 Charts, 5 Graphs.

مصطلحات موضوعية: *OZONE, *ISOTOPOLOGUES, *ATMOSPHERIC chemistry, *POTENTIAL energy surfaces, *DISSOCIATION (Chemistry)

المؤلفون: Alves, Esdras, Franco, Maurício P., Pilling, Sergio, Machado, Francisco B. C., Spada, Rene F. K.

المساهمون: conselho nacional de desenvolvimento científico e tecnológico, fundação de amparo à pesquisa do estado de são paulo

المصدر: Journal of Molecular Modeling ; volume 27, issue 9 ; ISSN 1610-2940 0948-5023

الاتاحة: http://dx.doi.org/10.1007/s00894-021-04872-4
https://link.springer.com/content/pdf/10.1007/s00894-021-04872-4.pdf
https://link.springer.com/article/10.1007/s00894-021-04872-4/fulltext.html

المؤلفون: Powell, Andrew D., Dattani, Nikesh S., Spada, Rene F. K., Machado, Francisco B. C., Lischka, Hans, Dawes, Richard

المصدر: Journal of Chemical Physics; 2017, Vol. 147 Issue 9, p1-8, 8p, 4 Charts, 3 Graphs

مصطلحات موضوعية: OZONE layer, ATMOSPHERIC ozone, ELECTRONIC structure, ATOMIC structure, MONTE Carlo method

المؤلفون: Gomes, Alexandre C R¹ (AUTHOR), Spada, Rene F K² (AUTHOR), Lefloch, Bertrand³ (AUTHOR), Galvão, Breno R L¹ (AUTHOR) brenogalvao@gmail.com

المصدر: Monthly Notices of the Royal Astronomical Society. Nov2024, Vol. 534 Issue 3, p2621-2621. 1p.

مصطلحات موضوعية: *ARRHENIUS equation, *ASTROCHEMISTRY, *DATABASES, *KINEMATICS, *NITROGEN

المؤلفون: Vichietti, Rafael M., Spada, Rene F. K., Machado, Francisco B. C., Haiduke, Roberto L. A.

المصدر: Journal of Molecular Modeling; Aug2022, Vol. 28 Issue 8, p1-9, 9p

مصطلحات موضوعية: CARBON monoxide, SYNTHESIS gas, HYDROGEN, ELECTRONIC structure, FORMALDEHYDE, COMBUSTION