178 lines
5.5 KiB
BibTeX
178 lines
5.5 KiB
BibTeX
@article{haidar_2015,
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author = {Haidar, Azzam and Dong, Tingxing and Luszczek, Piotr and Tomov, Stanimire and Dongarra, Jack},
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title = {{Batched matrix computations on hardware accelerators based on GPUs}},
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journal = {Int. J. High Perform. Comput. Appl.},
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volume = {29},
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number = {2},
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pages = {193--208},
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year = {2015},
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month = feb,
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issn = {1094-3420},
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publisher = {SAGE Publications Ltd STM},
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doi = {10.1177/1094342014567546}
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}
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@article{ma_2011,
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author = {Ma, Wenjing and Krishnamoorthy, Sriram and Villa, Oreste and Kowalski, Karol},
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title = {{GPU-Based Implementations of the Noniterative Regularized-CCSD(T) Corrections: Applications to Strongly Correlated Systems}},
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journal = {J. Chem. Theory Comput.},
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volume = {7},
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number = {5},
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pages = {1316--1327},
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year = {2011},
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month = may,
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issn = {1549-9618},
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publisher = {American Chemical Society},
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doi = {10.1021/ct1007247}
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}
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@article{springer_2018,
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author = {Springer, Paul and Bientinesi, Paolo},
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title = {{Design of a High-Performance GEMM-like Tensor{\textendash}Tensor Multiplication}},
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journal = {ACM Trans. Math. Software},
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volume = {44},
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number = {3},
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pages = {1--29},
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year = {2018},
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month = jan,
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issn = {0098-3500},
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publisher = {Association for Computing Machinery},
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doi = {10.1145/3157733}
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}
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@article{dinapoli_2014,
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author = {Di Napoli, Edoardo and Fabregat-Traver, Diego and Quintana-Ort{\'{\i}}, Gregorio and Bientinesi, Paolo},
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title = {{Towards an efficient use of the BLAS library for multilinear tensor contractions}},
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journal = {Appl. Math. Comput.},
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volume = {235},
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pages = {454--468},
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year = {2014},
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month = may,
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issn = {0096-3003},
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publisher = {Elsevier},
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doi = {10.1016/j.amc.2014.02.051}
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}
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@article{villa_2011,
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author = {Villa, M. and Senent, M. L. and Dominguez-Gomez, R. and Alvarez-Bajo, O. and Carvajal, M.},
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title = {{CCSD(T) Study of Dimethyl-Ether Infrared and Raman Spectra}},
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journal = {J. Phys. Chem. A},
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volume = {115},
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number = {46},
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pages = {13573--13580},
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year = {2011},
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month = nov,
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issn = {1089-5639},
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publisher = {American Chemical Society},
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doi = {10.1021/jp2062223}
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}
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i@article{watson_2016,
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author = {Watson, Peter D. and Yong, Hai-wang and Lapere, Kim M. L. and Kettner, Marcus and McKinley, Allan J. and Wild, Duncan A.},
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title = {{Anion photoelectron spectroscopy and CCSD(T) calculations of the Cl{-}{$\cdots$}N2 complex}},
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journal = {Chem. Phys. Lett.},
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volume = {654},
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pages = {119--124},
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year = {2016},
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month = jun,
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issn = {0009-2614},
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publisher = {North-Holland},
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doi = {10.1016/j.cplett.2016.04.073}
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}
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@article{dontgen_2015,
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author = {D{\"{o}}ntgen, Malte and Przybylski-Freund, Marie-Dominique and Kr{\"{o}}ger, Leif C. and Kopp, Wassja A. and Ismail, Ahmed E. and Leonhard, Kai},
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title = {{Automated Discovery of Reaction Pathways, Rate Constants, and Transition States Using Reactive Molecular Dynamics Simulations}},
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journal = {J. Chem. Theory Comput.},
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volume = {11},
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number = {6},
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pages = {2517--2524},
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year = {2015},
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month = jun,
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issn = {1549-9618},
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publisher = {American Chemical Society},
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doi = {10.1021/acs.jctc.5b00201}
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}
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@article{zhang_2019,
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author = {Zhang, Igor Ying and Gr{\"{u}}neis, Andreas},
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title = {{Coupled Cluster Theory in Materials Science}},
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journal = {Front. Mater.},
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volume = {6},
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pages = {432749},
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year = {2019},
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month = jun,
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issn = {2296-8016},
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publisher = {Frontiers},
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doi = {10.3389/fmats.2019.00123}
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}
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@article{stanton_1997,
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author = {Stanton, John F.},
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title = {{Why CCSD(T) works: a different perspective}},
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journal = {Chem. Phys. Lett.},
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volume = {281},
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number = {1},
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pages = {130--134},
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year = {1997},
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month = dec,
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issn = {0009-2614},
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publisher = {North-Holland},
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doi = {10.1016/S0009-2614(97)01144-5}
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}
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@article{castaneda_2012,
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author = {Casta{\~{n}}eda, Romina and Iuga, Cristina and {\'{A}}lvarez-Idaboy, J. Ra{\'{u}}l and Vivier-Bunge, Annik},
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title = {{Rate Constants and Branching Ratios in the Oxidation of Aliphatic Aldehydes by OH Radicals under Atmospheric Conditions}},
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journal = {J. Mex. Chem. Soc.},
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volume = {56},
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number = {3},
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pages = {316--324},
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year = {2012},
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month = sep,
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issn = {1870-249X},
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publisher = {Sociedad Qu{\'{\i}}mica de M{\'{e}}xico A.C.},
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url = {https://www.scielo.org.mx/scielo.php?script=sci_arttext\&pid=S1870-249X2012000300014}
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}
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@article{du_2020,
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author = {Du, Benni and Zhang, Weichao},
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title = {{Theoretical Insight into the Reaction Mechanism and Kinetics for the Criegee Intermediate of anti-PhCHOO with SO2}},
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journal = {Molecules},
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volume = {25},
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number = {13},
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pages = {3041},
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year = {2020},
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month = jul,
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issn = {1420-3049},
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publisher = {Multidisciplinary Digital Publishing Institute},
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doi = {10.3390/molecules25133041}
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}
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@article{mallick_2020,
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author = {Mallick, Subhasish and Roy, Bonasree and Kumar, Pradeep},
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title = {{A comparison of DLPNO-CCSD(T) and CCSD(T) method for the determination of the energetics of hydrogen atom transfer reactions}},
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journal = {Comput. Theor. Chem.},
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volume = {1187},
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pages = {112934},
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year = {2020},
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month = oct,
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issn = {2210-271X},
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publisher = {Elsevier},
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doi = {10.1016/j.comptc.2020.112934}
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}
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@article{vilarrubias_2020,
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author = {Pere Vilarrubias},
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title = {Electronic spectroscopy of some small anions containing S, N and O using CR-EOM-CCSD(T) method},
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journal = {Molecular Physics},
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volume = {118},
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number = {24},
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pages = {e1797915},
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year = {2020},
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publisher = {Taylor and Francis},
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doi = {10.1080/00268976.2020.1797915},
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URL = {https://doi.org/10.1080/00268976.2020.1797915},
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eprint = {https://doi.org/10.1080/00268976.2020.1797915}
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}
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