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Code interoperability and standard data formats in quantum chemistry and quantum dynamics: The Q5/D5Cost data model

, , , , , , , , , , , , , , , , , и . Journal of Computational Chemistry, 35 (8): 611--621 (марта 2014)
DOI: 10.1002/jcc.23492

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Stefano Cracolici

Stefano Meini

Stefano Cardanobile

Giovanni Stefano

Stefano Carignano

 

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Ab-initio multireference study of an organic mixed-valence Spiro molecular system., , , и . J. Comput. Chem., 30 (1): 83-92 (2009)Ab-Initio Multi-reference Study of a Bistable Spiro Molecule., , , , и . ICCSA (1), том 3980 из Lecture Notes in Computer Science, стр. 744-751. Springer, (2006)Porting and optimizing a quantum-chemistry FCI algorithm on the Cray T3D., , и . HPCN Europe, том 919 из Lecture Notes in Computer Science, стр. 488-495. Springer, (1995)Code interoperability and standard data formats in quantum chemistry and quantum dynamics: The Q5/D5Cost data model, , , , , , , , , и 8 other автор(ы). Journal of Computational Chemistry, 35 (8): 611--621 (марта 2014)Common Format for Quantum Chemistry Interoperability: Q5Cost Format and Library., , , , , и . ICCSA (1), том 5072 из Lecture Notes in Computer Science, стр. 1094-1107. Springer, (2008)Confinement of the Pentanitrogen Cation Inside Carbon Nanotubes., , , и . ICCSA (5), том 10964 из Lecture Notes in Computer Science, стр. 579-592. Springer, (2018)A One-Billion-Determinant Full-CI Benchmark on the Cray T3D., , и . HPCN Europe, том 1067 из Lecture Notes in Computer Science, стр. 997-998. Springer, (1996)Common Data Format for Program Sharing and Integration., , и . International Conference on Computational Science, том 2658 из Lecture Notes in Computer Science, стр. 316-323. Springer, (2003)