المؤلفون: Pelegrini, Marina, Vivacqua, Ciro S., Roberto-Neto, Orlando, Ornellas, Fernando R., Machado, Francisco B. C.

المصدر: Brazilian Journal of Physics. December 2005 35(4a)

وصف الملف: text/html

URL الوصول: http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-97332005000600007

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: Kano, Filipe G., de Carvalho, Edson F. V., Ferrão, Luiz F. A., Roberto-Neto, Orlando, Machado, Francisco B. C.

المساهمون: Funda??o de Amparo ? Pesquisa e ao Desenvolvimento Cient?fico e Tecnol?gico do Maranh?o, Conselho Nacional de Desenvolvimento Cient?fico e Tecnol?gico, Funda??o de Amparo ? Pesquisa do Estado de S?o Paulo, Coordena??o de Aperfei?oamento de Pessoal de N?vel Superior

المصدر: The Journal of Physical Chemistry A ; volume 128, issue 49, page 10489-10497 ; ISSN 1089-5639 1520-5215

الاتاحة: https://doi.org/10.1021/acs.jpca.4c05382
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.4c05382

المؤلفون: dos Santos, Luan G. F., Chagas, Julio C. V., Ferrão, Luiz F. A., Aquino, Adelia J. A., Nieman, Reed, Lischka, Hans, Machado, Francisco B. C.

المساهمون: National Science Foundation, Conselho Nacional de Desenvolvimento Científico e Tecnológico, Fundação de Amparo à Pesquisa do Estado de São Paulo, Coordenação de Aperfeiçoamento de Pessoal de Nível Superior

المصدر: Journal of Computational Chemistry ; volume 46, issue 3 ; ISSN 0192-8651 1096-987X

الاتاحة: https://doi.org/10.1002/jcc.70039
https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.70039

المؤلفون: Silva, Nadeesha J., Machado, Francisco B. C., Lischka, Hans, Aquino, Adelia J. A.

المصدر: PhysChemChemPhys 18 (2016) 22300-22310

مصطلحات موضوعية: Physics - Chemical Physics

URL الوصول: http://arxiv.org/abs/1611.04154

المؤلفون: Machado, Francisco B. C., Aquino, Adélia J. A., Lischka, Hans

المصدر: PhysChem 17 (2015) 12778

مصطلحات موضوعية: Physics - Chemical Physics

URL الوصول: http://arxiv.org/abs/1611.01916

المؤلفون: Chagas, Julio C. V., Milanez, Bruno D., Oliveira, Vytor P., Pinheiro Jr, Max, Ferrão, Luiz F. A., Aquino, Adelia J. A., Lischka, Hans, Machado, Francisco B. C.

المصدر: Journal of Computational Chemistry; 5/5/2024, Vol. 45 Issue 12, p863-877, 15p

مصطلحات موضوعية: AROMATICITY, BENZENE derivatives, BENZENE

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: Machado, Francisco B. C., Aquino, Adélia J. A., de Oliveira-Filho, Antonio G. S.

المصدر: Theoretical Chemistry Accounts ; volume 139, issue 3 ; ISSN 1432-881X 1432-2234

الاتاحة: http://dx.doi.org/10.1007/s00214-020-2579-y
http://link.springer.com/content/pdf/10.1007/s00214-020-2579-y.pdf
http://link.springer.com/article/10.1007/s00214-020-2579-y/fulltext.html

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., Machado, Francisco B. C., Haiduke, Roberto L. A.

المساهمون: Minist??rio da Ci??ncia, Tecnologia e Inova????o, Funda????o de Amparo ?? Pesquisa do Estado de S??o Paulo

المصدر: ACS Omega ; volume 5, issue 37, page 23975-23982 ; ISSN 2470-1343 2470-1343

الاتاحة: http://dx.doi.org/10.1021/acsomega.0c03267
http://pubs.acs.org/doi/pdf/10.1021/acsomega.0c03267
https://pubs.acs.org/doi/pdf/10.1021/acsomega.0c03267

المؤلفون: Santiago, Régis T., Vichietti, Rafael M., Machado, Francisco B. C., Haiduke, Roberto L. A.

المصدر: Journal of Chemical Physics; 6/28/2021, Vol. 154 Issue 24, p1-8, 8p

مصطلحات موضوعية: SPIN-orbit interactions, GOLD, PSEUDOPOTENTIAL method, CATIONS, DNA adducts

المؤلفون: Pinheiro, Max, Cardoso, Daniely V. V., Aquino, Adélia J. A., Machado, Francisco B. C., Lischka, Hans

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

المصدر: Molecular Physics ; volume 117, issue 9-12, page 1519-1531 ; ISSN 0026-8976 1362-3028

الاتاحة: https://doi.org/10.1080/00268976.2019.1567848
https://www.tandfonline.com/doi/pdf/10.1080/00268976.2019.1567848

المؤلفون: Oliveira, Vytor P., Kraka, Elfi, Machado, Francisco B. C.

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

المصدر: Inorganic Chemistry ; volume 58, issue 21, page 14777-14789 ; ISSN 0020-1669 1520-510X

الاتاحة: https://doi.org/10.1021/acs.inorgchem.9b02458
https://pubs.acs.org/doi/pdf/10.1021/acs.inorgchem.9b02458

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: Ferrão, Luiz F. A., Pontes, Marcelo A. P., Fernandes, Gabriel F. S., Bettanin, Fernanda, Aquino, Adélia J. A., Lischka, Hans, Nachtigallová, Dana, Machado, Francisco B. C.

Relation: Journal of Physical Chemistry A; https://doi.org/10.1021/acs.jpca.3c04331; Journal of Physical Chemistry A. 2023, vol. 127, issue 45, p. 9430-9441.; http://hdl.handle.net/10084/152592; 001106324900001

الاتاحة: http://hdl.handle.net/10084/152592
https://doi.org/10.1021/acs.jpca.3c04331

المؤلفون: Chagas, Julio C. V., Milanez, Bruno D., Oliveira, Vytor P., Pinheiro Jr, Max, Ferrão, Luiz F. A., Aquino, Adelia J. A., Lischka, Hans, Machado, Francisco B. C.

المساهمون: Fundação de Amparo à Pesquisa do Estado de São Paulo, Coordenação de Aperfeiçoamento de Pessoal de Nível Superior, Conselho Nacional de Desenvolvimento Científico e Tecnológico, National Science Foundation

المصدر: Journal of Computational Chemistry ; volume 45, issue 12, page 863-877 ; ISSN 0192-8651 1096-987X

الاتاحة: http://dx.doi.org/10.1002/jcc.27296
https://onlinelibrary.wiley.com/doi/am-pdf/10.1002/jcc.27296
https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.27296

المؤلفون: Nieman, Reed, Oliveira, Vytor P., Jayee, Bhumika, Aquino, Adelia. J. A., Machado, Francisco B. C., Lischka, Hans

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

المصدر: The Journal of Physical Chemistry A ; volume 127, issue 40, page 8287-8296 ; ISSN 1089-5639 1520-5215

الاتاحة: http://dx.doi.org/10.1021/acs.jpca.3c04099
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.3c04099

المؤلفون: Fernandes, Gabriel F.S., Machado, Francisco B. C., Ferrão, Luiz F. A.

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 127, issue 42, page 8773-8781 ; ISSN 1089-5639 1520-5215

الاتاحة: http://dx.doi.org/10.1021/acs.jpca.3c01644
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.3c01644