المؤلفون: Mejia-Rodriguez, Daniel, Kunitsa, Alexander A., Aprà, Edoardo, Govind, Niranjan

المصدر: J. Phys. Chem. A 127 (2023) 9684

مصطلحات موضوعية: Physics - Chemical Physics

URL الوصول: http://arxiv.org/abs/2304.03381

المؤلفون: Mejia-Rodriguez, Daniel, Kunitsa, Alexander, Aprà, Edoardo, Govind, Niranjan

مصطلحات موضوعية: Physics - Chemical Physics

URL الوصول: http://arxiv.org/abs/2203.10169

المؤلفون: Bylaska, Eric J., Panyala, Ajay, Bauman, Nicholas P., Peng, Bo, Pathak, Himadri, Mejia-Rodriguez, Daniel, Govind, Niranjan, Williams-Young, David B., Aprà, Edoardo, Bagusetty, Abhishek, Mutlu, Erdal, Jackson, Koblar A., Baruah, Tunna, Yamamoto, Yoh, Pederson, Mark R., Withanage, Kushantha P. K., Pedroza-Montero, Jesús N., Bilbrey, Jenna A., Choudhury, Sutanay, Firoz, Jesun

المصدر: Journal of Chemical Physics; 10/21/2024, Vol. 161 Issue 15, p1-31, 31p

مصطلحات موضوعية: COMPUTATIONAL chemistry, CLOUD computing, QUANTUM computing, ELECTRONIC structure, TECHNOLOGICAL progress

المؤلفون: Mejia-Rodriguez, Daniel, Kunitsa, Alexander, Aprà, Edoardo, Govind, Niranjan

مصطلحات موضوعية: Physics - Chemical Physics

URL الوصول: http://arxiv.org/abs/2107.10423

المؤلفون: Aprà, Edoardo, Bhattarai, Ashish, Baxter, Eric, Johnson, Grant E., Govind, Niranjan, El-Khoury, Patrick Z.

مصطلحات موضوعية: Physics - Chemical Physics

URL الوصول: http://arxiv.org/abs/1909.03142

المؤلفون: Warneke, Jonas, Mayer, Martin, Rohdenburg, Markus, Ma, Xin, Liu, Judy K. Y., Grellmann, Max, Debnath, Sreekanta, Azov, Vladimir A., Apra, Edoardo, Young, Robert P., Jenne, Carsten, Johnson, Grant E., Kenttämaa, Hilkka I., Asmis, Knut R., Laskin, Julia

المصدر: Proceedings of the National Academy of Sciences of the United States of America, 2020 Sep . 117(38), 23374-23379.

URL الوصول: https://www.jstor.org/stable/26969303

المؤلفون: Mayer, Martin, van Lessen, Valentin, Rohdenburg, Markus, Hou, Gao-Lei, Yang, Zheng, Exner, Rüdiger M., Aprà, Edoardo, Azov, Vladimir A., Grabowsky, Simon, Xantheas, Sotiris S., Asmis, Knut R., Wang, Xue-Bin, Jenne, Carsten, Warneke, Jonas

المصدر: Proceedings of the National Academy of Sciences of the United States of America, 2019 Apr . 116(17), 8167-8172.

URL الوصول: https://www.jstor.org/stable/26703486

المؤلفون: Arkin, Adam, Bader, David C, Coffey, Richard, Antypas, Katie, Bard, Deborah, Dart, Eli, Dosanjh, Sudip, Gerber, Richard, Hack, James, Monga, Inder, Papka, Michael E, Riley, Katherine, Rotman, Lauren, Straatsma, Tjerk, Wells, Jack, Aluru, Srinivas, Andersen, Amity, Aprá, Edoardo, Azad, Ariful, Bates, Susan, Blaby, Ian, Blaby-Haas, Crysten, Bonneau, Rich, Bowen, Ben, Bradford, Mark A, Brodie, Eoin, Brown, James Ben, Buluc, Aydin, Bernholdt, David, Bylaska, Eric, Calvin, Kate, Cannon, Bill, Chen, Xingyuan, Cheng, Xiaolin, Cheung, Margaret, Chowdhary, Kenny, Colella, Phillip, Collins, Bill, Compo, Gil, Crowley, Mike, Debusschere, Bert, D’Imperio, Nicholas, Dror, Ron, Egan, Rob, Evans, Katherine, Friedberg, Iddo, Fyke, Jeremy, Gao, Zheng, Georganas, Evangelos, Giraldo, Frank, Gnanakaran, Gnana, Govind, Niri, Grandy, Stuart, Gustafson, Bill, Hammond, Glenn, Hargrove, William, Heroux, Michael, Hoffman, Forrest, Hofmeyr, Steven, Hunke, Elizabeth, Jackson, Charles, Jacob, Rob, Jacobson, Dan, Jacobson, Matt, Jain, Chirag, Johansen, Hans, Johnson, Jeff, Jones, Andy, Jones, Phil, Kalyanaraman, Ananth, Kang, Senghwa, King, Eric, Koanantakool, Penporn, Kollias, Pavlos, Kopera, Michal, Kotamarthi, Rao, Kowalski, Karol, Kumar, Jitendra, Kyrpides, Nikos, Leung, Ruby, Li, Xiaolin, Lin, Wuyin, Link, Robert, Liu, Yangang, Loew, Leslie, Luke, Edward, Ma, Hsi-Yen, Mahadevan, Radhakrishnan, Maranas, Costas, Martin, Daniel, Maslowski, Wieslaw, McCue, Lee Ann, McInnes, Lois Curfman, Mills, Richard, Molins Rafa, Sergi, Morozov, Dmitriy, Mostafavi, Sara, Moulton, David J, Mourao, Zenaida, Najm, Habib

Relation: qt7vv5r36c; https://escholarship.org/uc/item/7vv5r36c

الاتاحة: https://escholarship.org/uc/item/7vv5r36c
https://doi.org/10.2172/1375720

المؤلفون: Prabhakaran, Venkateshkumar, Romo, Joelle, Bhattarai, Ashish, George, Kyle, Norberg, Zachary M., Kalb, David, Aprà, Edoardo, Kottke, Peter A., Fedorov, Andrei G., El-Khoury, Patrick Z., Johnson, Grant E., Laskin, Julia

المساهمون: Basic Energy Sciences, U.S. Department of Energy, Office of Science, National Institutes of Health

المصدر: Chemical Communications ; volume 58, issue 65, page 9060-9063 ; ISSN 1359-7345 1364-548X

الاتاحة: http://dx.doi.org/10.1039/d2cc02595g
http://pubs.rsc.org/en/content/articlepdf/2022/CC/D2CC02595G

المؤلفون: Shelton, William A., Apra, Edoardo, Sumpter, Bobby G., Saraiva-Souza, Aldilene, Filho, Antonio G. Souza, Del Nero, Jordan, Meunier, Vincent

مصطلحات موضوعية: Condensed Matter - Materials Science

URL الوصول: http://arxiv.org/abs/0812.0798

المؤلفون: Rohdenburg, Markus, Yang, Zheng, Su, Pei, Bernhardt, Eduard, Yuan, Qinqin, Apra, Edoardo, Grabowsky, Simon, Laskin, Julia, Jenne, Carsten, Wang, Xue-Bin, Warneke, Jonas

مصطلحات موضوعية: collision-induced dissociation (CID), electron detachment energy, repulsive Coulomb barrier (RCB)

Time: 540

وصف الملف: application/pdf

الاتاحة: https://oa.tib.eu/renate/handle/123456789/7614
https://doi.org/10.34657/6661

المؤلفون: Apra, Edoardo, Bylaska, Eric, De Jong, Wibe, Govind, Niranjan, Kowalski, Karol, Straatsma, T.P., Valiev, Marat, Van Dam, Hubertus, Alexeev, Yuri, Anchell, James, Anisimov, Victor, Aquino, Fredy, Atta-Fynn, Raymond, Autschbach, Jochen, Bauman, Nicholas, Becca, Jeffrey, Bernholdt, David, Bhaskaran-Nair, Kiran, Bogatko, Stuart, Borowski, Piotr, Boschen, Jeffery, Brabec, Jiri, Bruner, Adam, Cauet, Emilie, Harrison, Robert, Chen, Cho-Yi, Chuev, G.N., Cramer, C. J., Daily, J., Deegan, M.J.O., Dunning, T.H., Dupuis, M., Dyall, K.G., Fann, G. I., Fischer, S.A., Fonari, A., Früchti, H., Gagliardi, L.

المصدر: The Journal of Chemical Physics, 152

مصطلحات موضوعية: Chimie quantique, Chimie théorique

وصف الملف: 1 full-text file(s): application/pdf

Relation: https://dipot.ulb.ac.be/dspace/bitstream/2013/304099/3/10.10635.0004997.pdf; http://hdl.handle.net/2013/ULB-DIPOT:oai:dipot.ulb.ac.be:2013/304099

الاتاحة: http://hdl.handle.net/2013/ULB-DIPOT:oai:dipot.ulb.ac.be:2013/304099
https://dipot.ulb.ac.be/dspace/bitstream/2013/304099/3/10.10635.0004997.pdf

المؤلفون: Rohdenburg, Markus, Yang, Zheng, Su, Pei, Bernhardt, Eduard, Yuan, Qinqin, Apra, Edoardo, Grabowsky, Simon, Laskin, Julia, Jenne, Carsten, Wang, Xue-Bin, Warneke, Jonas

المصدر: Rohdenburg, Markus; Yang, Zheng; Su, Pei; Bernhardt, Eduard; Yuan, Qinqin; Apra, Edoardo; Grabowsky, Simon; Laskin, Julia; Jenne, Carsten; Wang, Xue-Bin; Warneke, Jonas (2020). Properties of gaseous closo -[B 6 X 6 ] 2− dianions (X = Cl, Br, I). Physical Chemistry Chemical Physics, 22(31), pp. 17713-17724. Royal Society of Chemistry 10.1039/d0cp02581j

مصطلحات موضوعية: 570 Life sciences, biology, 540 Chemistry

وصف الملف: application/pdf

Relation: https://boris.unibe.ch/150610/

الاتاحة: https://boris.unibe.ch/150610/1/073_Rohdenburg2020_PhysChemChemPhys.pdf
https://boris.unibe.ch/150610/

المؤلفون: Mayer, Martin, Rohdenburg, Markus, van Lessen, Valentin, Nierstenhöfer, Marc C., Aprà, Edoardo, Grabowsky, Simon, Asmis, Knut R., Jenne, Carsten, Warneke, Jonas

المصدر: Mayer, Martin; Rohdenburg, Markus; van Lessen, Valentin; Nierstenhöfer, Marc C.; Aprà, Edoardo; Grabowsky, Simon; Asmis, Knut R.; Jenne, Carsten; Warneke, Jonas (2020). First steps towards a stable neon compound: observation and bonding analysis of [B 12 (CN) 11 Ne] −. Chemical communications, 56(33), pp. 4591-4594. Royal Society of Chemistry 10.1039/d0cc01423k

مصطلحات موضوعية: 570 Life sciences, biology, 540 Chemistry

وصف الملف: application/pdf

Relation: https://boris.unibe.ch/150589/

الاتاحة: https://boris.unibe.ch/150589/1/069_Mayer2020_ChemComm.pdf
https://boris.unibe.ch/150589/

المؤلفون: Aprà, Edoardo, Bhattarai, Ashish, Baxter, Eric, Wang, ShanYi, Johnson, Grant E., Govind, Niranjan, El-Khoury, Patrick Z.

المساهمون: U.S. Department of Energy

المصدر: Applied Spectroscopy ; volume 74, issue 11, page 1350-1357 ; ISSN 0003-7028 1943-3530

الاتاحة: http://dx.doi.org/10.1177/0003702820923392
http://journals.sagepub.com/doi/pdf/10.1177/0003702820923392
http://journals.sagepub.com/doi/full-xml/10.1177/0003702820923392

المؤلفون: Rohdenburg, Markus, Yang, Zheng, Su, Pei, Bernhardt, Eduard, Yuan, Qinqin, Apra, Edoardo, Grabowsky, Simon, Laskin, Julia, Jenne, Carsten, Wang, Xue-Bin, Warneke, Jonas

المساهمون: U.S. Department of Energy, Volkswagen Foundation

المصدر: Physical Chemistry Chemical Physics ; volume 22, issue 31, page 17713-17724 ; ISSN 1463-9076 1463-9084

الاتاحة: http://dx.doi.org/10.1039/d0cp02581j
http://pubs.rsc.org/en/content/articlepdf/2020/CP/D0CP02581J

المؤلفون: Kendall, Ricky A, Aprà, Edoardo, Bernholdt, David E, Bylaska, Eric J, Dupuis, Michel, Fann, George I, Harrison, Robert J, Ju, Jialin, Nichols, Jeffrey A, Nieplocha, Jarek, Straatsma, TP, Windus, Theresa L, Wong, Adrian T

المصدر: Computer Physics Communications. 128(1-2)

مصطلحات موضوعية: Distributed Computing and Systems Software, Information and Computing Sciences, Bioengineering, physics.chem-ph, physics.comp-ph, Mathematical Sciences, Physical Sciences, Nuclear & Particles Physics, Information and computing sciences, Mathematical sciences, Physical sciences

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/21w7f5w7
https://escholarship.org/content/qt21w7f5w7/qt21w7f5w7.pdf

المؤلفون: Chang, Le, Baseggio, Oscar, Sementa, Luca, Cheng, Daojian, Fronzoni, Giovanna, Toffoli, Daniele, Aprà, Edoardo, Stener, Mauro, Fortunelli, Alessandro

المساهمون: Chang, Le, Baseggio, Oscar, Sementa, Luca, Cheng, Daojian, Fronzoni, Giovanna, Toffoli, Daniele, Aprà, Edoardo, Stener, Mauro, Fortunelli, Alessandro

مصطلحات موضوعية: Computer Science Applications1707 Computer Vision and Pattern Recognition, Physical and Theoretical Chemistry

وصف الملف: STAMPA

Relation: info:eu-repo/semantics/altIdentifier/pmid/29897750; info:eu-repo/semantics/altIdentifier/wos/WOS:000438654500029; volume:14; issue:7; firstpage:3703; lastpage:3714; numberofpages:12; journal:JOURNAL OF CHEMICAL THEORY AND COMPUTATION; http://hdl.handle.net/11368/2931100; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85048719719

الاتاحة: http://hdl.handle.net/11368/2931100
https://doi.org/10.1021/acs.jctc.8b00250
https://pubs.acs.org/doi/10.1021/acs.jctc.8b00250

المؤلفون: Apra, Edoardo, Mejia-Rodriguez, Daniel, Govind, Niranjan, Bylaska, Eric, Kowalski, Karol, Harrison, Robert, Straatsma, Tjerk, van Dam, Hubertus, de Jong, Wibe, Windus, Theresa, Valiev, Marat

الاتاحة: https://dx.doi.org/10.11578/dc.20240613.3
https://www.osti.gov/doecode/biblio/128811

المؤلفون: Herman, Kristina M., Aprà, Edoardo, Xantheas, Sotiris S.

المساهمون: University of Washington, Basic Energy Sciences

المصدر: Physical Chemistry Chemical Physics ; volume 25, issue 6, page 4824-4838 ; ISSN 1463-9076 1463-9084

الاتاحة: http://dx.doi.org/10.1039/d2cp04335a
http://pubs.rsc.org/en/content/articlepdf/2023/CP/D2CP04335A