المؤلفون: Aprà, E, Bylaska, EJ, De Jong, WA, Govind, N, Kowalski, K, Straatsma, TP, Valiev, M, Van Dam, HJJ, Alexeev, Y, Anchell, J, Anisimov, V, Aquino, FW, Atta-Fynn, R, Autschbach, J, Bauman, NP, Becca, JC, Bernholdt, DE, Bhaskaran-Nair, K, Bogatko, S, Borowski, P, Boschen, J, Brabec, J, Bruner, A, Cauët, E, Chen, Y, Chuev, GN, Cramer, CJ, Daily, J, Deegan, MJO, Dunning, TH, Dupuis, M, Dyall, KG, Fann, GI, Fischer, SA, Fonari, A, Früchtl, H, Gagliardi, L, Garza, J, Gawande, N, Ghosh, S, Glaesemann, K, Götz, AW, Hammond, J, Helms, V, Hermes, ED, Hirao, K, Hirata, S, Jacquelin, M, Jensen, L, Johnson, BG, Jónsson, H, Kendall, RA, Klemm, M, Kobayashi, R, Konkov, V, Krishnamoorthy, S, Krishnan, M, Lin, Z, Lins, RD, Littlefield, RJ, Logsdail, AJ, Lopata, K, Ma, W, Marenich, AV, Martin Del Campo, J, Mejia-Rodriguez, D, Moore, JE, Mullin, JM, Nakajima, T, Nascimento, DR, Nichols, JA, Nichols, PJ, Nieplocha, J, Otero-De-La-Roza, A, Palmer, B, Panyala, A, Pirojsirikul, T, Peng, B, Peverati, R, Pittner, J, Pollack, L, Richard, RM, Sadayappan, P, Schatz, GC, Shelton, WA, Silverstein, DW, Smith, DMA, Soares, TA, Song, D, Swart, M, Taylor, HL, Thomas, GS, Tipparaju, V, Truhlar, DG, Tsemekhman, K, Van Voorhis, T, Vázquez-Mayagoitia, A, Verma, P, Villa, O, Vishnu, A

المصدر: Journal of Chemical Physics. 152(18)

مصطلحات موضوعية: physics.chem-ph, physics.comp-ph, Physical Sciences, Chemical Sciences, Engineering, Chemical Physics

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/21w7f5w7

المؤلفون: Aquino FW; Department of Chemical & Environmental Engineering, Materials Science & Engineering Program, University of California-Riverside, Riverside, California.; Department of Chemistry, University of California-Riverside, Riverside, California.; Department of Physics and Astronomy, University of California-Riverside, Riverside, California., Shinde R; Department of Chemical & Environmental Engineering, Materials Science & Engineering Program, University of California-Riverside, Riverside, California.; Department of Chemistry, University of California-Riverside, Riverside, California.; Department of Physics and Astronomy, University of California-Riverside, Riverside, California., Wong BM; Department of Chemical & Environmental Engineering, Materials Science & Engineering Program, University of California-Riverside, Riverside, California.; Department of Chemistry, University of California-Riverside, Riverside, California.; Department of Physics and Astronomy, University of California-Riverside, Riverside, California.

المصدر: Journal of computational chemistry [J Comput Chem] 2020 May 05; Vol. 41 (12), pp. 1200-1208. Date of Electronic Publication: 2020 Feb 11.

نوع المنشور: Journal Article

بيانات الدورية: Publisher: Wiley Country of Publication: United States NLM ID: 9878362 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1096-987X (Electronic) Linking ISSN: 01928651 NLM ISO Abbreviation: J Comput Chem Subsets: PubMed not MEDLINE; MEDLINE

المؤلفون: Aquino FW; Department of Chemical & Environmental Engineering, Materials Science & Engineering Program, and Department of Physics & Astronomy , University of California-Riverside , Riverside , California 92521 , United States., Wong BM; Department of Chemical & Environmental Engineering, Materials Science & Engineering Program, and Department of Physics & Astronomy , University of California-Riverside , Riverside , California 92521 , United States.

المصدر: The journal of physical chemistry letters [J Phys Chem Lett] 2018 Nov 15; Vol. 9 (22), pp. 6456-6462. Date of Electronic Publication: 2018 Oct 31.

نوع المنشور: Journal Article

بيانات الدورية: Publisher: American Chemical Society Country of Publication: United States NLM ID: 101526034 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1948-7185 (Electronic) Linking ISSN: 19487185 NLM ISO Abbreviation: J Phys Chem Lett Subsets: PubMed not MEDLINE

المؤلفون: Ali ZA; Department of Physics & Astronomy, University of California, Riverside, CA, 92521, USA., Aquino FW; Department of Chemical & Environmental Engineering and Materials Science & Engineering Program, University of California, Riverside, CA, 92521, USA., Wong BM; Department of Physics & Astronomy, University of California, Riverside, CA, 92521, USA. bryan.wong@ucr.edu.; Department of Chemical & Environmental Engineering and Materials Science & Engineering Program, University of California, Riverside, CA, 92521, USA. bryan.wong@ucr.edu.

المصدر: Nature communications [Nat Commun] 2018 Nov 09; Vol. 9 (1), pp. 4733. Date of Electronic Publication: 2018 Nov 09.

نوع المنشور: Letter; Research Support, U.S. Gov't, Non-P.H.S.

بيانات الدورية: Publisher: Nature Pub. Group Country of Publication: England NLM ID: 101528555 Publication Model: Electronic Cited Medium: Internet ISSN: 2041-1723 (Electronic) Linking ISSN: 20411723 NLM ISO Abbreviation: Nat Commun Subsets: PubMed not MEDLINE

المؤلفون: Sperança MA; Grupo de Análise Instrumental Aplicada (GAIA), Departamento de Química, Universidade Federal de São Carlos (UFSCar), Brazil., Virgilio A; Grupo de Análise Instrumental Aplicada (GAIA), Departamento de Química, Universidade Federal de São Carlos (UFSCar), Brazil., Pereira-Filho ER; Grupo de Análise Instrumental Aplicada (GAIA), Departamento de Química, Universidade Federal de São Carlos (UFSCar), Brazil., Batista de Aquino FW; Grupo de Análise Instrumental Aplicada (GAIA), Departamento de Química, Universidade Federal de São Carlos (UFSCar), Brazil.

المصدر: Applied spectroscopy [Appl Spectrosc] 2018 Aug; Vol. 72 (8), pp. 1205-1214. Date of Electronic Publication: 2018 May 22.

نوع المنشور: Journal Article

بيانات الدورية: Publisher: Sage Country of Publication: United States NLM ID: 0372406 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1943-3530 (Electronic) Linking ISSN: 00037028 NLM ISO Abbreviation: Appl Spectrosc Subsets: PubMed not MEDLINE

المؤلفون: Fu C; Department of Chemical and Environmental Engineering , University of California-Riverside , Riverside , California 92521 , United States., Xu L; Department of Chemical and Environmental Engineering , University of California-Riverside , Riverside , California 92521 , United States., Aquino FW; Materials Science and Engineering Program , University of California-Riverside , Riverside , California 92521 , United States., V Cresce A; U.S. Army Research Laboratory , Adelphi , Maryland 20783 , United States., Gobet M; Department of Physics and Astronomy , Hunter College of the City University of New York , New York , New York 10065 , United States., Greenbaum SG; Department of Physics and Astronomy , Hunter College of the City University of New York , New York , New York 10065 , United States., Xu K; U.S. Army Research Laboratory , Adelphi , Maryland 20783 , United States., Wong BM; Department of Chemical and Environmental Engineering , University of California-Riverside , Riverside , California 92521 , United States.; Materials Science and Engineering Program , University of California-Riverside , Riverside , California 92521 , United States., Guo J; Department of Chemical and Environmental Engineering , University of California-Riverside , Riverside , California 92521 , United States.; Materials Science and Engineering Program , University of California-Riverside , Riverside , California 92521 , United States.

المصدر: The journal of physical chemistry letters [J Phys Chem Lett] 2018 Apr 05; Vol. 9 (7), pp. 1739-1745. Date of Electronic Publication: 2018 Mar 22.

نوع المنشور: Journal Article

بيانات الدورية: Publisher: American Chemical Society Country of Publication: United States NLM ID: 101526034 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1948-7185 (Electronic) Linking ISSN: 19487185 NLM ISO Abbreviation: J Phys Chem Lett Subsets: PubMed not MEDLINE

المؤلفون: Anderson LN; Department of Chemical & Environmental Engineering and Materials Science & Engineering Program, University of California-Riverside , Riverside, California 92521, United States., Aquino FW; Department of Chemical & Environmental Engineering and Materials Science & Engineering Program, University of California-Riverside , Riverside, California 92521, United States., Raeber AE; Department of Chemical & Environmental Engineering and Materials Science & Engineering Program, University of California-Riverside , Riverside, California 92521, United States., Chen X; Department of Chemical & Environmental Engineering and Materials Science & Engineering Program, University of California-Riverside , Riverside, California 92521, United States., Wong BM; Department of Chemical & Environmental Engineering and Materials Science & Engineering Program, University of California-Riverside , Riverside, California 92521, United States.

المصدر: Journal of chemical theory and computation [J Chem Theory Comput] 2018 Jan 09; Vol. 14 (1), pp. 180-190. Date of Electronic Publication: 2017 Dec 22.

نوع المنشور: Journal Article

بيانات الدورية: Publisher: American Chemical Society Country of Publication: United States NLM ID: 101232704 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1549-9626 (Electronic) Linking ISSN: 15499618 NLM ISO Abbreviation: J Chem Theory Comput Subsets: PubMed not MEDLINE

المؤلفون: Pantano G; Laboratório de Biogeoquímica Ambiental-Núcleo de Estudos, Diagnósticos e Intervenções Ambientais, Departamento de Química, Universidade Federal de São Carlos, Rodovia Washington Luís, km 235-Caixa Postal 676, São Carlos, SP, 13565-905, Brazil., Ferreira JS; Laboratório de Biogeoquímica Ambiental-Núcleo de Estudos, Diagnósticos e Intervenções Ambientais, Departamento de Química, Universidade Federal de São Carlos, Rodovia Washington Luís, km 235-Caixa Postal 676, São Carlos, SP, 13565-905, Brazil., Aquino FW; Departamento de Química, Universidade Federal de São Carlos, Rodovia Washington Luís, km 235-Caixa Postal 676, São Carlos, SP, 13565-905,, Brazil., Pereira-Filho ER; Departamento de Química, Universidade Federal de São Carlos, Rodovia Washington Luís, km 235-Caixa Postal 676, São Carlos, SP, 13565-905,, Brazil., Mozeto AA; Laboratório de Biogeoquímica Ambiental-Núcleo de Estudos, Diagnósticos e Intervenções Ambientais, Departamento de Química, Universidade Federal de São Carlos, Rodovia Washington Luís, km 235-Caixa Postal 676, São Carlos, SP, 13565-905, Brazil., Fadini PS; Laboratório de Biogeoquímica Ambiental-Núcleo de Estudos, Diagnósticos e Intervenções Ambientais, Departamento de Química, Universidade Federal de São Carlos, Rodovia Washington Luís, km 235-Caixa Postal 676, São Carlos, SP, 13565-905, Brazil. psfadini@ufscar.br.

المصدر: Environmental science and pollution research international [Environ Sci Pollut Res Int] 2017 Jan; Vol. 24 (3), pp. 2685-2696. Date of Electronic Publication: 2016 Nov 10.

نوع المنشور: Journal Article

بيانات الدورية: Publisher: Springer Country of Publication: Germany NLM ID: 9441769 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1614-7499 (Electronic) Linking ISSN: 09441344 NLM ISO Abbreviation: Environ Sci Pollut Res Int Subsets: MEDLINE

مواضيع طبية MeSH: Eutrophication* , Phosphorus*, Adsorption ; Environmental Restoration and Remediation ; Fertilizers ; Geologic Sediments ; Lakes ; Phosphates ; Water Pollutants, Chemical/analysis

المؤلفون: Aquino FW; Department of Chemistry, Northwestern University , Evanston, Illinois 60208-3113, United States., Schatz GC

المصدر: The journal of physical chemistry. A [J Phys Chem A] 2014 Jan 16; Vol. 118 (2), pp. 517-25. Date of Electronic Publication: 2014 Jan 07.

نوع المنشور: Journal Article

بيانات الدورية: Publisher: American Chemical Society Country of Publication: United States NLM ID: 9890903 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1520-5215 (Electronic) Linking ISSN: 10895639 NLM ISO Abbreviation: J Phys Chem A Subsets: PubMed not MEDLINE

المؤلفون: de Aquino FW; Instituto de Química de São Carlos, Universidade de São Paulo, São Carlos, SP, Brazil., Franco DW

المصدر: Journal of agricultural and food chemistry [J Agric Food Chem] 2011 Aug 10; Vol. 59 (15), pp. 8249-55. Date of Electronic Publication: 2011 Jul 18.

نوع المنشور: Journal Article; Research Support, Non-U.S. Gov't

بيانات الدورية: Publisher: American Chemical Society Country of Publication: United States NLM ID: 0374755 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1520-5118 (Electronic) Linking ISSN: 00218561 NLM ISO Abbreviation: J Agric Food Chem Subsets: MEDLINE

مواضيع طبية MeSH: Alcoholic Beverages/*analysis , Dextrans/*chemistry , Saccharum/*chemistry, Brazil ; Food Handling ; Hydrogen-Ion Concentration ; Molecular Weight ; Temperature