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1دورية أكاديمية
المؤلفون: Aprà, E., Bylaska, E. J., de Jong, W. A., Govind, N., Kowalski, K., Straatsma, T. P., Valiev, M., van Dam, H. J. J., Alexeev, Y., Anchell, J., Anisimov, V., Aquino, F. W., Atta-Fynn, R., Autschbach, J., Bauman, N. P., Becca, J. C., Bernholdt, D. E., Bhaskaran-Nair, K., Bogatko, S., Borowski, P., Boschen, J., Brabec, J., Bruner, A., Cauët, E., Chen, Y., 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., Früchtl, H., Gagliardi, L., Garza, J., Gawande, N., Ghosh, S., Glaesemann, K., Götz, A. W., Hammond, J., Helms, V., Hermes, E. D., Hirao, K., Hirata, S., Jacquelin, M., Jensen, L., Johnson, B. G., Jónsson, H., Kendall, R. A., Klemm, M., Kobayashi, R., Konkov, V., Krishnamoorthy, S., Krishnan, M., Lin, Z., Lins, R. D., Littlefield, R. J., Logsdail, A. J., Lopata, K., Ma, W., Marenich, A. V., Martin del Campo, J., Mejia-Rodriguez, D., Moore, J. E., Mullin, J. M., Nakajima, T., Nascimento, D. R., Nichols, J. A., Nichols, P. J., Nieplocha, J., Otero-de-la-Roza, A., Palmer, B., Panyala, A., Pirojsirikul, T., Peng, B., Peverati, R., Pittner, J., Pollack, L., Richard, R. M., Sadayappan, P., Schatz, G. C., Shelton, W. A., Silverstein, D. W., Smith, D. M. A., Soares, T. A., Song, D., Swart, M., Taylor, H. L., Thomas, G. S., Tipparaju, V., Truhlar, D. G., Tsemekhman, K., Van Voorhis, T., Vázquez-Mayagoitia, Á., Verma, P., Villa, O., Vishnu, A., Vogiatzis, K. D., Wang, D., Weare, J. H., Williamson, M. J., Windus, T. L., Woliński, K., Wong, A. T., Wu, Q., Yang, C., Yu, Q., Zacharias, M., Zhang, Z., Zhao, Y., Harrison, R. J.
المصدر: Aprà , E , Bylaska , E J , de Jong , W A , Govind , N , Kowalski , K , Straatsma , T P , Valiev , M , van Dam , H J J , Alexeev , Y , Anchell , J , Anisimov , V , Aquino , F W , Atta-Fynn , R , Autschbach , J , Bauman , N P , Becca , J C , Bernholdt , D E , Bhaskaran-Nair , K , Bogatko , S , Borowski , P , Boschen , J , Brabec , J , ....
وصف الملف: application/pdf
العلاقة: https://research-portal.st-andrews.ac.uk/en/researchoutput/nwchemTest(4abfe4c5-f078-47e2-abdc-7b2eea7a45d9).html
الإتاحة: https://doi.org/10.1063/5.0004997Test
https://research-portal.st-andrews.ac.uk/en/researchoutput/nwchemTest(4abfe4c5-f078-47e2-abdc-7b2eea7a45d9).html
https://research-repository.st-andrews.ac.uk/bitstream/10023/23151/1/Apra_2020_JCP_NWChem_VoR.pdfTest -
2دورية أكاديمية
المؤلفون: Aprà, E., Bylaska, E. J., de Jong, W. A., Govind, N., Kowalski, K., Straatsma, T. P., Valiev, M., van Dam, H. J. J., Alexeev, Y., Anchell, J., Anisimov, V., Aquino, F. W., Atta-Fynn, R., Autschbach, J., Bauman, N. P., Becca, J. C., Bernholdt, D. E., Bhaskaran-Nair, K., Bogatko, S., Borowski, P., Boschen, J., Brabec, J., Bruner, A., Cauët, E., Chen, Y., 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., Früchtl, H., Gagliardi, L., Garza, J., Gawande, N., Ghosh, S., Glaesemann, K., Götz, A. W., Hammond, J., Helms, V., Hermes, E. D., Hirao, K., Hirata, S., Jacquelin, M., Jensen, L., Johnson, B. G., Jónsson, H., Kendall, R. A., Klemm, M., Kobayashi, R., Konkov, V., Krishnamoorthy, S., Krishnan, M., Lin, Z., Lins, R. D., Littlefield, R. J., Logsdail, A. J., Lopata, K., Ma, W., Marenich, A. V., Martin del Campo, J., Mejia-Rodriguez, D., Moore, J. E., Mullin, J. M., Nakajima, T., Nascimento, D. R., Nichols, J. A., Nichols, P. J., Nieplocha, J., Otero-de-la-Roza, A., Palmer, B., Panyala, A., Pirojsirikul, T., Peng, B., Peverati, R., Pittner, J., Pollack, L., Richard, R. M., Sadayappan, P., Schatz, G. C., Shelton, W. A., Silverstein, D. W., Smith, D. M. A., Soares, T. A., Song, D., Swart, M., Taylor, H. L., Thomas, G. S., Tipparaju, V., Truhlar, D. G., Tsemekhman, K., Van Voorhis, T., Vázquez-Mayagoitia, Á., Verma, P., Villa, O., Vishnu, A., Vogiatzis, K. D., Wang, D., Weare, J. H., Williamson, M. J., Windus, T. L., Woliński, K., Wong, A. T., Wu, Q., Yang, C., Yu, Q., Zacharias, M., Zhang, Z., Zhao, Y., Harrison, R. J.
المساهمون: University of St Andrews. School of Chemistry, University of St Andrews. EaSTCHEM
مصطلحات موضوعية: QD Chemistry, NDAS, QD
وصف الملف: application/pdf
العلاقة: Journal of Chemical Physics; 268276008; 4abfe4c5-f078-47e2-abdc-7b2eea7a45d9; 85084785862; 000533417100002; Aprà , E , Bylaska , E J , de Jong , W A , Govind , N , Kowalski , K , Straatsma , T P , Valiev , M , van Dam , H J J , Alexeev , Y , Anchell , J , Anisimov , V , Aquino , F W , Atta-Fynn , R , Autschbach , J , Bauman , N P , Becca , J C , Bernholdt , D E , Bhaskaran-Nair , K , Bogatko , S , Borowski , P , Boschen , J , Brabec , J , Bruner , A , Cauët , E , Chen , Y , 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 , Früchtl , H , Gagliardi , L , Garza , J , Gawande , N , Ghosh , S , Glaesemann , K , Götz , A W , Hammond , J , Helms , V , Hermes , E D , Hirao , K , Hirata , S , Jacquelin , M , Jensen , L , Johnson , B G , Jónsson , H , Kendall , R A , Klemm , M , Kobayashi , R , Konkov , V , Krishnamoorthy , S , Krishnan , M , Lin , Z , Lins , R D , Littlefield , R J , Logsdail , A J , Lopata , K , Ma , W , Marenich , A V , Martin del Campo , J , Mejia-Rodriguez , D , Moore , J E , Mullin , J M , Nakajima , T , Nascimento , D R , Nichols , J A , Nichols , P J , Nieplocha , J , Otero-de-la-Roza , A , Palmer , B , Panyala , A , Pirojsirikul , T , Peng , B , Peverati , R , Pittner , J , Pollack , L , Richard , R M , Sadayappan , P , Schatz , G C , Shelton , W A , Silverstein , D W , Smith , D M A , Soares , T A , Song , D , Swart , M , Taylor , H L , Thomas , G S , Tipparaju , V , Truhlar , D G , Tsemekhman , K , Van Voorhis , T , Vázquez-Mayagoitia , Á , Verma , P , Villa , O , Vishnu , A , Vogiatzis , K D , Wang , D , Weare , J H , Williamson , M J , Windus , T L , Woliński , K , Wong , A T , Wu , Q , Yang , C , Yu , Q , Zacharias , M , Zhang , Z , Zhao , Y & Harrison , R J 2020 , ' NWChem : past, present, and future ' , Journal of Chemical Physics , vol. 152 , no. 18 , 184102 . https://doi.org/10.1063/5.0004997Test; RIS: urn:D1B84C8551B41C3E6ACEEC5B0F6769FE; ORCID: /0000-0001-6647-4266/work/75248553; https://hdl.handle.net/10023/23151Test
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المؤلفون: Aprà, E., Bylaska, E. J., de Jong, W. A., Govind, N., Kowalski, K., Straatsma, T. P., Valiev, M., van Dam, H. J.J., Alexeev, Y., Anchell, J., Anisimov, V., Aquino, F. W., Atta-Fynn, R., Autschbach, J., Bauman, N. P., Becca, J. C., Bernholdt, D. E., Bhaskaran-Nair, K., Bogatko, S., Borowski, P., Boschen, J., Brabec, J., Bruner, A., Cauët, E., Chen, Y., 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., Früchtl, H., Gagliardi, L., Garza, J., Gawande, N., Ghosh, S., Glaesemann, K., Götz, A. W., Hammond, J., Helms, V., Hermes, E. D., Hirao, K., Hirata, S., Jacquelin, M., Jensen, L., Johnson, B. G., Jónsson, H., Kendall, R. A., Klemm, M., Kobayashi, R., Konkov, V., Krishnamoorthy, S., Krishnan, M., Lin, Z., Lins, R. D., Littlefield, R. J., Logsdail, A. J., Lopata, K., Ma, W., Marenich, A. V., Martin Del Campo, J., Mejia-Rodriguez, D., Moore, J. E., Mullin, J. M., Nakajima, T., Nascimento, D. R., Nichols, J. A., Nichols, P. J., Nieplocha, J., Otero-de-la-Roza, A., Palmer, B., Panyala, A., Pirojsirikul, T., Peng, B., Peverati, R., Pittner, J., Pollack, L., Sadayappan, P., Schatz, G. C., Shelton, W. A., Silverstein, D. W., Smith, D. M.A., Soares, T. A., Song, D., Swart, M., Taylor, H. L., Thomas, G. S., Tipparaju, V., Truhlar, D. G., Tsemekhman, K., Van Voorhis, T., Vázquez-Mayagoitia, Verma, P., Villa, O., Vishnu, A., Vogiatzis, K. D., Wang, Dunyou, Weare, J. H., Williamson, M. J., Windus, T. L., Woliński, K., Wong, A. T., Wu, Q., Yang, C., Yu, Q., Zacharias, M., Zhang, Zhiyong, Zhao, Yan, Harrison, R. J.
المساهمون: Pacific Northwest National Laboratory, Lawrence Berkeley National Laboratory, Oak Ridge National Laboratory, Brookhaven National Laboratory, Argonne National Laboratory, Intel, University of Texas at Arlington, The State University of New York at Buffalo, Pennsylvania State University, Washington University St. Louis, Maria Curie-Sklodowska University, Iowa State University, Czech Academy of Sciences, University of Tennessee System, Université Libre de Bruxelles, Facebook Inc, Russian Academy of Sciences, University of Minnesota Twin Cities, Jodrell Bank Observatory, University of Washington, Dirac Solutions, Naval Research Laboratory, Georgia Institute of Technology, University of St Andrews, Universidad Autónoma Metropolitana, University of California San Diego, Saarland University, Sandia National Laboratories, RIKEN, University of Illinois at Urbana-Champaign, Multiscale Statistical and Quantum Physics, Australian National University, Florida Institute of Technology, University of Science and Technology of China, Fundação Oswaldo Cruz, Zerene Systems LLC, Cardiff University, Louisiana State University, CAS - Institute of Software, Universidad Nacional Autónoma de México, University of Florida, Los Alamos National Laboratory, University of Oviedo, Prince of Songkla University, University of Utah, Northwestern University, Universal Display Corporation, Universidade Federal de Pernambuco, ICREA, Cray Inc, Massachusetts Institute of Technology, 1QBit, Nvidia, University of Tennessee, Knoxville, Shandong Normal University, University of Cambridge, Advanced Micro Devices, Technische Universität München, Stanford University, Wuhan University of Technology, Stony Brook University, Department of Applied Physics, Aalto-yliopisto, Aalto University
وصف الملف: application/pdf
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=od_______661::7fc313527f8047e40c50975776ce5722Test
https://aaltodoc.aalto.fi/handle/123456789/107419Test -
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المؤلفون: Aprà, E., Bylaska, E. J., de Jong, W. A., Govind, N., Kowalski, K., Straatsma, T. P., Valiev, M., van Dam, H. J., Alexeev, Y., Anchell, J., Anisimov, V., Aquino, F. W., Atta-Fynn, R., Autschbach, J., Bauman, N. P., Becca, J. C., Bernholdt, D. E., Bhaskaran-Nair, K., Bogatko, S., Borowski, P., Boschen, J., Brabec, J., Bruner, A., Cauët, E., Chen, Y., Chuev, G. N., Cramer, C. J., Daily, J., Deegan, M. O., Dunning, T. H., Dupuis, M., Dyall, K. G., Fann, G. I., Fischer, S. A., Fonari, A., Früchtl, H., Gagliardi, L., Garza, J., Gawande, N., Ghosh, S., Glaesemann, K., Götz, A. W., Hammond, J., Helms, V., Hermes, E. D., Hirao, K., Hirata, S., Jacquelin, M., Jensen, L., Johnson, B. G., Jónsson, H., Kendall, R. A., Klemm, M., Kobayashi, R., Konkov, V., Krishnamoorthy, S., Krishnan, M., Lin, Z., Lins, R. D., Littlefield, R. J., Logsdail, A. J., Lopata, K., Ma, W., Marenich, A. V., Martin del Campo, J., Mejia-Rodriguez, D., Moore, J. E., Mullin, J. M., Nakajima, T., Nascimento, D. R., Nichols, J. A., Nichols, P. J., Nieplocha, J., Otero-de-la-Roza, A., Palmer, B., Panyala, A., Pirojsirikul, T., Peng, B., Peverati, R., Pittner, J., Pollack, L., Richard, R. M., Sadayappan, P., Schatz, G. C., Shelton, W. A., Silverstein, D. W., Smith, D. A., Soares, T. A., Song, D., Swart, M., Taylor, H. L., Thomas, G. S., Tipparaju, V., Truhlar, D. G., Tsemekhman, K., Van Voorhis, T., Vázquez-Mayagoitia, Á., Verma, P., Villa, O., Vishnu, A., Vogiatzis, K. D., Wang, D., Weare, J. H., Williamson, M. J., Windus, T. L., Woliński, K., Wong, A. T., Wu, Q., Yang, C., Yu, Q., Zacharias, M., Zhang, Z., Zhao, Y., Harrison, R. J.
وصف الملف: application/pdf
العلاقة: http://www.osti.gov/servlets/purl/1697992Test; https://www.osti.gov/biblio/1697992Test; https://doi.org/10.1063/5.0004997Test
الإتاحة: https://doi.org/10.1063/5.0004997Test
http://www.osti.gov/servlets/purl/1697992Test
https://www.osti.gov/biblio/1697992Test -
5دورية أكاديمية
المؤلفون: Wadt, W. R., Goddard III, W. A., Dunning, T. H.
المصدر: Journal of Chemical Physics; Jul1976, Vol. 65 Issue 1, p438-445, 8p
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6دورية أكاديمية
المؤلفون: Hosteny, R. P., Dunning, T. H., Gilman, R. R., Pipano, A., Shavitt, I.
المصدر: Journal of Chemical Physics; Jun1975, Vol. 62 Issue 12, p4764-4779, 16p
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7دورية أكاديمية
المؤلفون: Takeshita, Tyler Y., Woon, D. E., Dunning, T. H., Jr.
وصف الملف: image/gif; application/vnd.ms-powerpoint
العلاقة: 2010-TI-14; http://hdl.handle.net/1811/46450Test
الإتاحة: http://hdl.handle.net/1811/46450Test
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8دورية أكاديميةNEW PERSPECTIVE ON PF$_n$ ($n$=1--5) FROM THE RECOUPLED PAIR BONDING MODEL: A QUANTUM CHEMICAL STUDY
المؤلفون: Woon, D. E., Dunning, T. H., Jr.
وصف الملف: image/gif; application/vnd.ms-powerpoint
العلاقة: 2010-TI-12; http://hdl.handle.net/1811/46020Test
الإتاحة: http://hdl.handle.net/1811/46020Test
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9دورية أكاديمية
المؤلفون: Chen, L., Woon, D. E., Dunning, T. H., Jr.
وصف الملف: image/gif; application/vnd.ms-powerpoint
العلاقة: 2010-RE-09; http://hdl.handle.net/1811/46374Test
الإتاحة: http://hdl.handle.net/1811/46374Test
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10دورية أكاديمية
المؤلفون: Xu, Lu, Woon, D. E., Dunning, T. H., Jr.
وصف الملف: image/gif; application/vnd.ms-powerpoint
العلاقة: 2010-TI-13; http://hdl.handle.net/1811/46302Test
الإتاحة: http://hdl.handle.net/1811/46302Test