المؤلفون: Brockherde, Felix, Vogt, Leslie, Li, Li, Tuckerman, Mark E., Burke, Kieron, Müller, Klaus-Robert

مصطلحات موضوعية: Physics - Computational Physics, Computer Science - Learning, Physics - Chemical Physics, Statistics - Machine Learning

URL الوصول: http://arxiv.org/abs/1609.02815

المؤلفون: Vogt, Leslie

Thesis Advisors: Aspuru-Guzik, Alan

مصطلحات موضوعية: electronic structure, graphics cards, self-assembled monolayers, chemistry

الاتاحة: http://dissertations.umi.com/gsas.harvard:10041
http://nrs.harvard.edu/urn-3:HUL.InstRepos:10336883

المؤلفون: Brockherde, Felix, Vogt, Leslie, Li, Li, Tuckerman, Mark E, Burke, Kieron, Müller, Klaus-Robert

المصدر: Nature communications. 8(1)

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/54t1815h

المؤلفون: Perdomo, Alejandro, Vogt, Leslie, Najmaie, Ali, Aspuru-Guzik, Alán

مصطلحات موضوعية: Quantum Physics, Condensed Matter - Mesoscale and Nanoscale Physics

URL الوصول: http://arxiv.org/abs/1001.2602

المؤلفون: Shtukenberg, Alexander G., Zhu, Qiang, Carter, Damien J., Vogt, Leslie, Hoja, Johannes, Schneider, Elia, Song, Hongxing, Pokroy, Boaz, Polishchuk, Iryna, Tkatchenko, Alexandre, Oganov, Artem R., Rohl, Andrew L., Tuckerman, Mark E., Kahr, Bart

المساهمون: National Nuclear Security Administration, Army Research Office, Division of Materials Research, Australian Research Council, Seventh Framework Program, European Union Seventh Framework Programme

المصدر: Chemical Science ; volume 8, issue 7, page 4926-4940 ; ISSN 2041-6520 2041-6539

الاتاحة: http://dx.doi.org/10.1039/c7sc00168a
http://pubs.rsc.org/en/content/articlepdf/2017/SC/C7SC00168A

المؤلفون: Reilly, Anthony M, Cooper, Richard I, Adjiman, Claire S, Bhattacharya, Saswata, Boese, A Daniel, Brandenburg, Jan Gerit, Bygrave, Peter J, Bylsma, Rita, Campbell, Josh E, Car, Roberto, Case, David H, Chadha, Renu, Cole, Jason C, Cosburn, Katherine, Cuppen, Herma M, Curtis, Farren, Day, Graeme M, DiStasio, Robert A, Dzyabchenko, Alexander, van Eijck, Bouke P, Elking, Dennis M, van den Ende, Joost A, Facelli, Julio C, Ferraro, Marta B, Fusti-Molnar, Laszlo, Gatsiou, Christina Anna, Gee, Thomas S, de Gelder, René, Ghiringhelli, Luca M, Goto, Hitoshi, Grimme, Stefan, Guo, Rui, Hofmann, Detlef WM, Hoja, Johannes, Hylton, Rebecca K, Iuzzolino, Luca, Jankiewicz, Wojciech, de Jong, Daniël T, Kendrick, John, de Klerk, Niek JJ, Ko, Hsin Yu, Kuleshova, Liudmila N, Li, Xiayue, Lohani, Sanjaya, Leusen, Frank JJ, Lund, Albert M, Lv, Jian, Ma, Yanming, Marom, Noa, Masunov, Artëm E, McCabe, Patrick, McMahon, David P, Meekes, Hugo, Metz, Michael P, Misquitta, Alston J, Mohamed, Sharmarke, Monserrat, Bartomeu, Needs, Richard J, Neumann, Marcus A, Nyman, Jonas, Obata, Shigeaki, Oberhofer, Harald, Oganov, Artem R, Orendt, Anita M, Pagola, Gabriel I, Pantelides, Constantinos C, Pickard, Chris J, Podeszwa, Rafal, Price, Louise S, Price, Sarah L, Pulido, Angeles, Read, Murray G, Reuter, Karsten, Schneider, Elia, Schober, Christoph, Shields, Gregory P, Singh, Pawanpreet, Sugden, Isaac J, Szalewicz, Krzysztof, Taylor, Christopher R, Tkatchenko, Alexandre, Tuckerman, Mark E, Vacarro, Francesca, Vasileiadis, Manolis, Vazquez-Mayagoitia, Alvaro, Vogt, Leslie, Wang, Yanchao, Watson, Rona E, de Wijs, Gilles A, Yang, Jack, Zhu, Qiang, Groom, Colin R

مصطلحات موضوعية: Cambridge Structural Database, crystal structure prediction, lattice energies, polymorphism

وصف الملف: application/pdf

Relation: https://www.repository.cam.ac.uk/handle/1810/256015

الاتاحة: https://www.repository.cam.ac.uk/handle/1810/256015

المؤلفون: Vogt, Leslie, Vinyard, David J, Khan, Sahr, Brudvig, Gary W

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

المصدر: Current Opinion in Chemical Biology ; volume 25, page 152-158 ; ISSN 1367-5931

الاتاحة: http://dx.doi.org/10.1016/j.cbpa.2014.12.040
https://api.elsevier.com/content/article/PII:S1367593115000022?httpAccept=text/xml
https://api.elsevier.com/content/article/PII:S1367593115000022?httpAccept=text/plain

المؤلفون: Bak, Constance A., Vogt, Leslie H., George, William R., Greentree, I. Richard

المصدر: Logistics Information Management, 1995, Vol. 8, Issue 4, pp. 12-18.

URL الوصول: http://www.emeraldinsight.com/doi/10.1108/09576059510091869

المؤلفون: Bak, Constance A., Vogt, Leslie H., George, William R., Greentree, I. Richard

المصدر: Journal of Services Marketing, 1994, Vol. 8, Issue 1, pp. 37-47.

URL الوصول: http://www.emeraldinsight.com/doi/10.1108/08876049410053285

المؤلفون: Breivogel, Christopher S., Childers, Steven R., Deadwyler, Sam A., Hampson, Robert E., Vogt, Leslie J., Sim‐Selley, Laura J.

المصدر: Journal of Neurochemistry ; volume 73, issue 6, page 2447-2459 ; ISSN 0022-3042 1471-4159

الاتاحة: http://dx.doi.org/10.1046/j.1471-4159.1999.0732447.x
https://api.wiley.com/onlinelibrary/tdm/v1/articles/10.1046%2Fj.1471-4159.1999.0732447.x
https://onlinelibrary.wiley.com/doi/pdf/10.1046/j.1471-4159.1999.0732447.x

المؤلفون: Vogt, Brent A., Fountoulakis, K. Nikos, Samaras, Dimitrios, Kövari, Enikö, Vogt, Leslie J., Hof, Patrick R.

المساهمون: Vogt, Brent A., editor

المصدر: Cingulate Neurobiology and Disease.

الاتاحة: https://doi.org/10.1093/oso/9780198566960.003.0025

المؤلفون: Vogt, Brent A., Crino, Peter B., Vogt, Leslie J.

مصطلحات موضوعية: Articles

وصف الملف: text/html

Relation: http://cercor.oxfordjournals.org/cgi/content/short/2/6/526; http://dx.doi.org/10.1093/cercor/2.6.526

الاتاحة: http://cercor.oxfordjournals.org/cgi/content/short/2/6/526
https://doi.org/10.1093/cercor/2.6.526

المؤلفون: Reilly, Anthony M., Cooper, Richard I., Adjiman, Claire S., Bhattacharya, Saswata, Boese, A. Daniel, Brandenburg, Jan Gerit, Bygrave, Peter J., Bylsma, Rita, Campbell, Josh E., Car, Roberto, Case, David H., Chadha, Renu, Cole, Jason C., Cosburn, Katherine, Cuppen, Herma M., Curtis, Farren, Day, Graeme M., DiStasio Jr, Robert A., Dzyabchenko, Alexander, van Eijck, Bouke P., Elking, Dennis M., van den Ende, Joost A., Facelli, Julio C., Ferraro, Marta B., Fusti-Molnar, Laszlo, Gatsiou, Christina-Anna, Gee, Thomas S., de Gelder, René, Ghiringhelli, Luca M., Goto, Hitoshi, Grimme, Stefan, Guo, Rui, Hofmann, Detlef W. M. Parco Scientifico e Tecnologico, POLARIS, FlexCryst, Hoja, Johannes Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin, Hylton, Rebecca K. Univ. College London, Surrey , Dept. of Chemistry, Iuzzolino, Luca Univ. College London, Surrey , Dept. of Chemistry, Jankiewicz, Wojciech University of Silesia, , Institute of Chemistry, de Jong, Daniël T. Radboud Univ., Nijmegen , Institute for Molecules and Materials, Kendrick, John The Cambridge Crystallographic Data Centre, de Klerk, Niek J. J. Radboud Univ., Nijmegen , Institute for Molecules and Materials, Ko, Hsin-Yu Princeton Univ., NJ , Dept. of Chemistry, Kuleshova, Liudmila N. FlexCryst, Uttenreuth, Li, Xiayue Chemistry Research Laboratory, Oxford , Chemical Crystallography, Tulane Univ., New Orleans, LA , Dept. of Physics and Engineering Physics, Lohani, Sanjaya Tulane Univ., New Orleans, LA , Dept. of Physics and Engineering Physics, Leusen, Frank J. J. The Cambridge Crystallographic Data Centre, Lund, Albert M. Imperial College, London , Dept. of Chemical Engineering, Centre for Process Systems Engineering, OpenEye Scientific Software, New Mexico, Lv, Jian Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin, Ma, Yanming Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin, Marom, Noa Univ. of Graz , Department of Chemistry, Institute of Physical and Theoretical Chemistry, Masunov, Artëm E. Rheinische Friedrich-Wilhelms Universität Bonn, , Mulliken Center for Theoretical Chemistry, Institut für Physikalische und Theoretische Chemie, University of Southampton, Southampton , School of Chemistry, Radboud University, Institute for Molecules and Materials, Princeton University, New Jersey , Department of Chemistry, McCabe, Patrick The Cambridge Crystallographic Data Centre, Cambridge, McMahon, David P. University of Southampton, Southampton , School of Chemistry, Meekes, Hugo Radboud Univ., Nijmegen , Institute for Molecules and Materials, Metz, Michael P. Panjab University, Chandigarh , University Institute of Pharmaceutical Sciences, Misquitta, Alston J. Tulane Univ., New Orleans, LA , Dept. of Physics and Engineering Physics, Mohamed, Sharmarke Univ. of Toronto, ON , Dept. of Physics, Monserrat, Bartomeu Carnegie Mellon Univ., Pittsburgh, PA , Dept. of Physics, Cornell Univ., Ithaca, NY , Dept. of Chemistry and Chemical Biology, Needs, Richard J. Carnegie Mellon Univ., Pittsburgh, PA , Dept. of Physics, Neumann, Marcus A. Karpov Institute of Physical Chemistry, Moscow, Nyman, Jonas University of Southampton, Southampton , School of Chemistry, Obata, Shigeaki Toyohashi University of Technology , Educational Programs on Advanced Simulation Engineering, Oberhofer, Harald Utrecht University, Oganov, Artem R. OpenEye Scientific Software, New Mexico, University of Utah, Salt Lake City, Utah , Center for High Performance Computing, University of Utah, Salt Lake City, Utah , Department of Biomedical Informatics, Ciudad Universitaria, Buenos Aires, , Departamento de Física and Ifiba Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Orendt, Anita M. Univ. of Utah, Salt Lake City, UT , Center for High Performance Computing, Pagola, Gabriel I. Ciudad Universitaria, Buenos Aires, , Departamento de Física and Ifiba Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Pantelides, Constantinos C. Imperial College, London , Department of Chemical Engineering, Centre for Process Systems Engineering, Pickard, Chris J. Toyohashi University of Technology, Toyohashi , Educational Programs on Advanced Simulation Engineering, Toyohashi University of Technology, Toyohashi , Department of Computer Science and Engineering, Graduate School of Engineering, Toyohashi University of Technology, Podeszwa, Rafal University of Silesia , Institute of Chemistry, Price, Louise S. Univ. College London, London , Dept. of Chemistry, Price, Sarah L. Univ. College London, London , Dept. of Chemistry, Pulido, Angeles University of Southampton, Southampton , School of Chemistry, Read, Murray G. The Cambridge Crystallographic Data Centre, Cambridge, Reuter, Karsten Utrecht University, Schneider, Elia Univ. College London, London , Dept. of Chemistry, Schober, Christoph Utrecht University, Shields, Gregory P. The Cambridge Crystallographic Data Centre, Cambridge, Singh, Pawanpreet Panjab University, Chandigarh , University Institute of Pharmaceutical Sciences, Sugden, Isaac J. Imperial College London, London , Dept. of Chemical Engineering, Szalewicz, Krzysztof Panjab University, Chandigarh , University Institute of Pharmaceutical Sciences, Taylor, Christopher R. University of Southampton, Southampton , School of Chemistry, Tkatchenko, Alexandre Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg Berlin, Parco Scientifico e Tecnologico, , CRS4, Tuckerman, Mark E. University College London, London , Dept.of Chemistry, University of Silesia, Katowice , Institute of Chemistry, Vacarro, Francesca The Cambridge Crystallographic Data Centre, Vasileiadis, Manolis Imperial College London, London , Dept. of Chemical Engineering, Vazquez-Mayagoitia, Alvaro Chemistry Research Laboratory, Oxford , Chemical Crystallography, Vogt, Leslie University College London, London , Dept.of Chemistry, Wang, Yanchao Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg Berlin, Watson, Rona E. University College London, London , Dept.of Chemistry, de Wijs, Gilles A. Radboud Univ., Nijmegen , Institute for Molecules and Materials, Yang, Jack University of Southampton, Southampton , School of Chemistry, Zhu, Qiang OpenEye Scientific Software, New Mexico, University of Utah, Salt Lake City, Utah, Groom, Colin R. The Cambridge Crystallographic Data Centre

وصف الملف: application/pdf

Relation: http://www.osti.gov/servlets/purl/1625828; https://www.osti.gov/biblio/1625828; https://doi.org/10.1107/s2052520616007447

الاتاحة: http://www.osti.gov/servlets/purl/1625828
https://www.osti.gov/biblio/1625828
https://doi.org/10.1107/s2052520616007447

المؤلفون: Vogt, Leslie, Ertem, Mehmed Z., Pal, Rhitankar, Brudvig, Gary W., Batista, Victor S.

مصطلحات موضوعية: 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

وصف الملف: application/pdf

Relation: http://www.osti.gov/servlets/purl/1183828; https://www.osti.gov/biblio/1183828; https://doi.org/10.1021/bi5011706

الاتاحة: http://www.osti.gov/servlets/purl/1183828
https://www.osti.gov/biblio/1183828
https://doi.org/10.1021/bi5011706

المؤلفون: Vogt, Brent A., Vogt, Leslie J., Sikes, Robert W.

المساهمون: Cingulum Neurosciences Institute

المصدر: Brain Structure and Function ; volume 223, issue 1, page 429-448 ; ISSN 1863-2653 1863-2661

الاتاحة: http://dx.doi.org/10.1007/s00429-017-1502-3
http://link.springer.com/article/10.1007/s00429-017-1502-3/fulltext.html
http://link.springer.com/content/pdf/10.1007/s00429-017-1502-3.pdf

المؤلفون: Reilly, Anthony M., Cooper, Richard I., Adjiman, Claire S., Bhattacharya, Saswate, Boese, A. Daniel, Brandenburg, Jan Gerit, Bygrave, Peter J., Bylsma, Rita, Campbell, Josh E., Car, Roberto, Case, David H., Chadha, Renu, Cole, Jason C., Cosburn, Katherine, Cuppen, Herma M., Curtis, Farren, Day, Graeme M., DiStasio Jr, Robert A., Dzyabchenko, Alexander, van Eijck, Bouke P., Elking, Dennis M., can den Ende, Joost A., Facelli, Julio C., Ferraro, Marta B., Fusti-Molnar, Laszlo, Gatsiou, Chritina-Anna, Gee, Thomas S., de Gelder, Rene, Ghiringhelli, Luca M., Goto, Hitoshi, Grimme, Stefan, Guo, Rui, Hofmann, Detlef W.M., Hoja, Johannes, Hylton, Rebecca K., Iuzzolino, Luca, Jankiewicz, Wojciech, de Jong, Daniel T., Kendrick, John, de Klerk, Niek J.J., Ko, Hsin-Yu, Kuleshova, Liudmila N., Li, Xiayue, Lohani, Sanjaya, Leusen, Frank J.J., Lund, Albert M., Lv, Jian, Ma, Yanming, Marom, Noa, Masunov, Artem E., McCabe, Patrick, McMahon, David P., Meekes, Hugo, Metz, Michael P., Misquitta, Alston J., Mohamed, Sharmarke, Monserrat, Bartomeu, Needs, Richard J., Neumann, Marcus A., Nyman, Jonas, Obata, Shigeaki, Oberhofer, Harald, Oganov, Artem R., Orendt, Anita M., Pagola, Gabriel I., Pantelides, Constantinos C., Pickard, Chris J., Podeszwa, Rafal, Price, Louise S., Price, Sarah L., Pulido, Angeles, Read, Murray G., Reuter, Karsten, Schneider, Elia, Schober, Christoph, Shields, Gregory P., Singh, Pawanpreet, Sugden, Isaac J., Szaleqicz, Krzysztof, Taylor, Christopher R., Tkatchenko, Alexandre, Tuckerman, Mark E., Vacarro, Francesca, Vasileiadis, Manolis, Vazquez-Mayagoitia, Alvaro, Vogt, Leslie, Wang, Yanchao, Watson, Rona E., de Wijs, Gilles A., Yang, Jack, Zhu, Qiang, Groom, Colin R.

وصف الملف: text

URL الوصول: https://explore.openaire.eu/search/publication?articleId=od_______348::27a04737bb1278de73e2552d2c84252d
https://eprints.soton.ac.uk/393981/

المؤلفون: Bennion, Jonathan C., Vogt, Leslie, Tuckerman, Mark E., Matzger, Adam J.

المساهمون: Army Research Office

المصدر: Crystal Growth & Design ; volume 16, issue 8, page 4688-4693 ; ISSN 1528-7483 1528-7505

الاتاحة: http://dx.doi.org/10.1021/acs.cgd.6b00753
https://pubs.acs.org/doi/pdf/10.1021/acs.cgd.6b00753

المؤلفون: Amin, Muhamed, Vogt, Leslie, Vassiliev, Serguei, Rivalta, Ivan, Sultan, Mohammad M., Bruce, Doug, Brudvig, Gary W., Batista, Victor S., Gunner, M. R.

المساهمون: Amin, Muhamed, Vogt, Leslie, Vassiliev, Serguei, Rivalta, Ivan, Sultan, Mohammad M., Bruce, Doug, Brudvig, Gary W., Batista, Victor S.*, Gunner, M.R.

مصطلحات موضوعية: Biomimetic Material, Electron Transport, Ligand, Manganese, Models, Molecular, Molecular Conformation, Organometallic Compound, Oxidation-Reduction, Oxygen, Photosystem II Protein Complex, Quantum Theory, Solvent, Thermodynamic, Water, Proton, Static Electricity, Surfaces, Coatings and Film, Physical and Theoretical Chemistry, Materials Chemistry2506 Metals and Alloys

وصف الملف: STAMPA

Relation: info:eu-repo/semantics/altIdentifier/pmid/23570540; info:eu-repo/semantics/altIdentifier/wos/WOS:000319649900020; volume:117; issue:20; firstpage:6217; lastpage:6226; numberofpages:10; journal:JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL; http://hdl.handle.net/11585/669384; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-84878035773; http://pubs.acs.org/journal/jpcbfk

الاتاحة: http://hdl.handle.net/11585/669384
https://doi.org/10.1021/jp403321b
http://pubs.acs.org/journal/jpcbfk

المؤلفون: Shao, Yihan, Gan, Zhengting, Epifanovsky, Evgeny, Gilbert, Andrew, Wormit, Michael, Kussmann, Joerg, Lange, Adrian, Behn, Andrew, Deng, Jia, Feng, Xintian, Ghosh, Debashree, Goldey, Matthew, Horn, Paul, Jacobson, Leif, Kaliman, Ilya, Khaliullin, Rustam, Kuś, Tomasz, Landau, Arie, Liu, Jie, Proynov, Emil, Rhee, Young, Richard, Ryan, Rohrdanz, Mary, Steele, Ryan, Sundstrom, Eric, Woodcock, H. Lee, Zimmerman, Paul, Zuev, Dmitry, Albrecht, Ben, Alguire, Ethan, Austin, Brian, Beran, Gregory, Bernard, Yves, Berquist, Eric, Brandhorst, Kai, Bravaya, Ksenia, Brown, Shawn, Casanova, David, Chang, Chun-Min, Chen, Yunqing, Chien, Siu, Closser, Kristina, Crittenden, Deborah, Diedenhofen, Michael, DiStasio, Robert, Do, Hainam, Dutoi, Anthony, Edgar, Richard, Fatehi, Shervin, Fusti-Molnar, Laszlo, Ghysels, An, Golubeva-Zadorozhnaya, Anna, Gomes, Joseph, Hanson-Heine, Magnus, Harbach, Philipp, Hauser, Andreas, Hohenstein, Edward, Holden, Zachary, Jagau, Thomas-C., Ji, Hyunjun, Kaduk, Benjamin, Khistyaev, Kirill, Kim, Jaehoon, Kim, Jihan, King, Rollin, Klunzinger, Phil, Kosenkov, Dmytro, Kowalczyk, Tim, Krauter, Caroline, Lao, Ka, Laurent, Adèle, Lawler, Keith, Levchenko, Sergey, Lin, Ching, Liu, Fenglai, Livshits, Ester, Lochan, Rohini, Luenser, Arne, Manohar, Prashant, Manzer, Samuel, Mao, Shan-Ping, Mardirossian, Narbe, Marenich, Aleksandr, Maurer, Simon, Mayhall, Nicholas, Neuscamman, Eric, Oana, C. Melania, Olivares-Amaya, Roberto, O'Neill, Darragh, Parkhill, John, Perrine, Trilisa, Peverati, Roberto, Prociuk, Alexander, Rehn, Dirk, Rosta, Edina, Russ, Nicholas, Sharada, Shaama, Sharma, Sandeep, Small, David, Sodt, Alexander, Stein, Tamar, Stück, David, Su, Yu-Chuan, Thom, Alex, Tsuchimochi, Takashi, Vanovschi, Vitalii, Vogt, Leslie, Vydrov, Oleg, Wang, Tao, Watson, Mark, Wenzel, Jan, White, Alec, Williams, Christopher, Yang, Jun, Yeganeh, Sina, Yost, Shane, You, Zhi-Qiang, Zhang, Igor, Zhang, Xing, Zhao, Yan, Brooks, Bernard, Chan, Garnet, Chipman, Daniel, Cramer, Christopher, Goddard, William, Gordon, Mark, Hehre, Warren, Klamt, Andreas, Schaefer, Henry, Schmidt, Michael, Sherill, C. David, Truhlar, Donald, Warshel, Arieh, Xu, Xin, Aspuru-Guzik, Alán, Baer, Roi, Bell, Alexis, Besley, Nicholas, Chai, Jeng-Da, Dreuw, Andreas, Dunietz, Barry, Furlani, Thomas, Gwaltney, Steven, Hsu, Chao-Ping, Jung, Yousung, Kong, Jing, Lambrecht, Daniel, Liang, WanZhen, Ochsenfeld, Christian, Rassolov, Vitaly, Slipchenko, Lyudmila, Subotnik, Joseph, Van Voorhis, Troy, Herbert, John, Krylov, Anna, Gill, Peter, Head-Gordon, Martin

المساهمون: Chemistry

المصدر: archive/lib.dr.iastate.edu/chem_pubs/640/2015_Gordon_AdvancesMolecular.pdf|||Sat Jan 15 01:22:21 UTC 2022 ; 10.1080/00268976.2014.952696

مصطلحات موضوعية: Chemistry, quantum chemistry, software, electronic structure theory, density functional theory, electron correlation, computational modelling, Q-Chem

وصف الملف: application/pdf

Relation: archive/lib.dr.iastate.edu/chem_pubs/640/; 1642; 7951649; chem_pubs/640; https://dr.lib.iastate.edu/handle/20.500.12876/15118

الاتاحة: https://dr.lib.iastate.edu/handle/20.500.12876/15118
https://hdl.handle.net/20.500.12876/15118

المؤلفون: Liu, Fenglai, Livshits, Ester, Lochan, Rohini C., Luenser, Arne, Manohar, Prashant, Manzer, Samuel F., Mao, Shan-Ping, Mardirossian, Narbe, Marenich, Aleksandr V., Maurer, Simon A., Mayhall, Nicholas J., Neuscamman, Eric, Oana, C. Melania, Olivares-Amaya, Roberto, O'Neill, Darragh P., Parkhill, John A., Perrine, Trilisa M., Peverati, Roberto, Prociuk, Alexander, Rehn, Dirk R., Rosta, Edina, Russ, Nicholas J., Sharada, Shaama M., Sharma, Sandeep, Small, David W., Sodt, Alexander, Stein, Tamar, Stueck, David, Su, Yu-Chuan, Thom, Alex J. W., Tsuchimochi, Takashi, Vanovschi, Vitalii, Vogt, Leslie, Vydrov, Oleg, Wang, Tao, Watson, Mark A., Wenzel, Jan, White, Alec, Williams, Christopher F., Yang, Jun, Yeganeh, Sina, Yost, Shane R., You, Zhi-Qiang, Zhang, Igor Ying, Zhang, Xing, Zhao, Yan, Brooks, Bernard R., Chan, Garnet K. L., Chipman, Daniel M., Cramer, Christopher J., Goddard, William A., Gordon, Mark S., Hehre, Warren J., Klamt, Andreas, Schaefer, Henry F., Schmidt, Michael W., Sherrill, C. David, Truhlar, Donald G., Warshel, Arieh, Xu, Xin, Aspuru-Guzik, Alan, Baer, Roi, Bell, Alexis T., Besley, Nicholas A., Chai, Jeng-Da, Dreuw, Andreas, Dunietz, Barry D., Furlani, Thomas R., Gwaltney, Steven R., Hsu, Chao-Ping, Jung, Yousung, Kong, Jing, Lambrecht, Daniel S., Liang, Wanzhen, Ochsenfeld, Christian, Rassolov, Vitaly A., Slipchenko, Lyudmila V., Subotnik, Joseph E., van Voorhis, Troy, Herbert, John M., Krylov, Anna I., Gill, Peter M. W., Head-Gordon, Martin, Shao, Yihan, Gan, Zhengting, Epifanovsky, Evgeny, Gilbert, Andrew T. B., Wormit, Michael, Kussmann, Joerg, Lange, Adrian W., Behn, Andrew, Deng, Jia, Feng, Xintian, Ghosh, Debashree, Goldey, Matthew, Horn, Paul R., Jacobson, Leif D., Kaliman, Ilya, Khaliullin, Rustam Z., Kus, Tomasz, Landau, Arie, Liu, Jie, Proynov, Emil I., Rhee, Young Min, Richard, Ryan M., Rohrdanz, Mary A., Steele, Ryan P., Sundstrom, Eric J., Woodcock, H. Lee, Zimmerman, Paul M., Zuev, Dmitry, Albrecht, Ben, Alguire, Ethan, Austin, Brian, Beran, Gregory J. O., Bernard, Yves A., Berquist, Eric, Brandhorst, Kai, Bravaya, Ksenia B., Brown, Shawn T., Casanova, David, Chang, Chun-Min, Chen, Yunqing, Chien, Siu Hung, Closser, Kristina D., Crittenden, Deborah L., Diedenhofen, Michael, Distasio, Robert A., Do, Hainam, Dutoi, Anthony D., Edgar, Richard G., Fatehi, Shervin, Fusti-Molnar, Laszlo, Ghysels, An, Golubeva-Zadorozhnaya, Anna, Gomes, Joseph, Hanson-Heine, Magnus W. D., Harbach, Philipp H. P., Hauser, Andreas W., Hohenstein, Edward G., Holden, Zachary C., Jagau, Thomas-C., Ji, Hyunjun, Kaduk, Benjamin, Khistyaev, Kirill, Kim, Jaehoon, Kim, Jihan, King, Rollin A., Klunzinger, Phil, Kosenkov, Dmytro, Kowalczyk, Tim, Krauter, Caroline M., Lao, Ka Un, Laurent, Adele D., Lawler, Keith V., Levchenko, Sergey V., Lin, Ching Yeh

المساهمون: Institut für Physikalische Chemie, Universität Mainz, Department of Chemistry Berkeley, University of California Berkeley (UC Berkeley), University of California (UC)-University of California (UC), China Earthquake Networks Center, China Earthquake Administration (CEA), University of Minnesota System (UMN), Department of Chemistry, Supercomputing Institute, and Chemical Theory Center, University of Minnesota Twin Cities (UMN), University of Minnesota System (UMN)-University of Minnesota System (UMN), COSMOlogic GmbH & Co KG, Institute of Physical and Theoretical Chemistry, Universität Regensburg (UR), Department of Chemistry, Minnesota Supercomputing Institute, and Chemical Theory Center, Franche-Comté Électronique Mécanique, Thermique et Optique - Sciences et Technologies (UMR 6174) (FEMTO-ST), Université de Technologie de Belfort-Montbeliard (UTBM)-Ecole Nationale Supérieure de Mécanique et des Microtechniques (ENSMM)-Centre National de la Recherche Scientifique (CNRS)-Université de Franche-Comté (UFC), Université Bourgogne Franche-Comté COMUE (UBFC)-Université Bourgogne Franche-Comté COMUE (UBFC), University of Frankfurt, Department of Mathematics Shanghai, Shanghai Jiao Tong University Shanghai, Chemistry, Ludwig Maximilian University Munich = Ludwig Maximilians Universität München (LMU), Eberhard Karls Universität Tübingen = University of Tübingen, Chaire Sciences des Systèmes et Défis Energétiques EDF/ECP/Supélec (SSEC), Ecole Centrale Paris-Ecole Supérieure d'Electricité - SUPELEC (FRANCE)-CentraleSupélec-EDF R&D (EDF R&D), EDF (EDF)-EDF (EDF), Department of Chemical and Biomolecular Engineering, Korea Advanced Institute of Science and Technology (KAIST), Chimie Et Interdisciplinarité : Synthèse, Analyse, Modélisation (CEISAM), Université de Nantes - UFR des Sciences et des Techniques (UN UFR ST), Université de Nantes (UN)-Université de Nantes (UN)-Institut de Chimie - CNRS Chimie (INC-CNRS)-Centre National de la Recherche Scientifique (CNRS)

المصدر: ISSN: 0026-8976.

مصطلحات موضوعية: quantum chemistry, electron correlation, electronic structure theory, Q-Chem, computational modelling, software, density functional theory, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry

الاتاحة: https://hal.science/hal-01389004
https://doi.org/10.1080/00268976.2014.952696