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المؤلفون: Johannes Steinmetzer, Daniel A. Smith, C. David Sherrill, Mark S. Gordon, Nuwan De Silva, Jamshed Anwar, Fang Liu, Henry F. Schaefer, Justin M. Turney, Lee-Ping Wang, Maximilian Scheurer, Annabelle Lolinco, Doaa Altarawy, Jiří Šponer, John D. Chodera, Carlos H. Borca, Rollin A. King, Asem Alenaizan, Jeffrey B. Schriber, David Dotson, Jonathon P. Misiewicz, Heather J. Kulik, Andrew C. Simmonett, Jeffrey R. Wagner, Sebastian J. R. Lee, Theresa L. Windus, Taylor A. Barnes, Peter Kraus, Matthew Welborn, Lori A. Burns, Logan Ward, Andreas Dreuw, Holger Kruse, Devin A. Matthews, Jiyoung Lee, Farhad Ramezanghorbani, Jan Hermann, Roberto Di Remigio, Levi N. Naden, Todd J. Martínez, Joshua T. Horton, John F. Stanton, Sebastian Ehlert, Colton B. Hicks, Adrian G. Hurtado, Zachary L. Glick, Alexander G. Heide, Michael F. Herbst
المصدر: The Journal of chemical physics, vol 155, iss 20
J Chem Physمصطلحات موضوعية: Computer science, Computation, Interoperability, General Physics and Astronomy, 010402 general chemistry, computer.software_genre, 01 natural sciences, ARTICLES, Software, Engineering, Composability, 0103 physical sciences, Physical and Theoretical Chemistry, Chemical Physics, 010304 chemical physics, Database, Application programming interface, business.industry, Modular design, Automation, 0104 chemical sciences, Networking and Information Technology R&D (NITRD), Physical Sciences, Chemical Sciences, GAMESS, business, computer
وصف الملف: application/pdf
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::48b3b4d904ba13577747299327cdf641
https://resolver.caltech.edu/CaltechAUTHORS:20211206-452781343 -
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المؤلفون: Matthew Welborn, Logan Ward, Levi N. Naden, Doaa Altarawy, Lori A. Burns, T. Daniel Crawford, Benjamin P. Pritchard, Sam Ellis, Daniel G. A. Smith
المصدر: WIREs Computational Molecular Science. 11
مصطلحات موضوعية: Structure (mathematical logic), business.industry, Computer science, Computation, Python (programming language), computer.software_genre, Biochemistry, Quantum chemistry, Computer Science Applications, Computational Mathematics, Software, Materials Chemistry, Operating system, Code (cryptography), Web application, High-throughput computing, Physical and Theoretical Chemistry, business, computer, computer.programming_language
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المؤلفون: Bernard R. Brooks, Robert A. Shaw, Uğur Bozkaya, Holger Kruse, C. David Sherrill, Francesco A. Evangelista, Konrad Patkowski, Susi Lehtola, A. Eugene DePrince, Zachary L. Glick, Maximilian Scheurer, Lori A. Burns, Matthew C. Schieber, T. Daniel Crawford, Peter Kraus, Justin M. Turney, Rollin A. King, Jonathon P. Misiewicz, Dominic A. Sirianni, Ashutosh Kumar, Yi Xie, Alexander Yu. Sokolov, Jonathan M. Waldrop, Jeffrey B. Schriber, Edward G. Hohenstein, Andrew C. Simmonett, Daniel G. A. Smith, Robert M. Parrish, Joseph Senan O’Brien, Henry F. Schaefer, Raimondas Galvelis, Roberto Di Remigio, Asem Alenaizan, Andrew M. James, Benjamin P. Pritchard
المساهمون: Department of Chemistry
المصدر: J Chem Phys
مصطلحات موضوعية: Computer science, Computation, Interoperability, 116 Chemical sciences, General Physics and Astronomy, FRAGMENT POTENTIAL METHOD, 02 engineering and technology, 010402 general chemistry, computer.software_genre, 01 natural sciences, DENSITY-FUNCTIONAL THEORY, ARTICLES, Software, CONFIGURATION-INTERACTION, 0103 physical sciences, Physical and Theoretical Chemistry, 010306 general physics, Implementation, computer.programming_language, 010304 chemical physics, business.industry, Programming language, ANALYTIC ENERGY GRADIENTS, FROZEN NATURAL ORBITALS, Python (programming language), COUPLED-CLUSTER METHODS, 021001 nanoscience & nanotechnology, 0104 chemical sciences, Workflow, EXCITED-STATES, SINGLE-REFERENCE, Component-based software engineering, Density functional theory, EXCITATION-ENERGIES, ADAPTED PERTURBATION-THEORY, business, 0210 nano-technology, computer
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::22e4072a26698e2bfbeb8fcbfc3247b2
https://europepmc.org/articles/PMC7228781/ -
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مصطلحات موضوعية: Physics, 010304 chemical physics, Basis (linear algebra), Computation, General Physics and Astronomy, Electronic structure, 010402 general chemistry, 01 natural sciences, Quantum chemistry, 0104 chemical sciences, Computational physics, Coupled cluster, Molecular geometry, 0103 physical sciences, Limit (mathematics), Perturbation theory (quantum mechanics), Physical and Theoretical Chemistry
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2160c56f47d70891f90fcebec584a505
https://aperta.ulakbim.gov.tr/record/5751 -
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المؤلفون: Laura McLaren, Lori A. Burns
المصدر: The Bloomsbury Handbook of Music Production.
مصطلحات موضوعية: media_common.quotation_subject, Art, Word (computer architecture), Linguistics, media_common, Image (mathematics)
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::cd794f561b590a3a9426147bc5a95afd
https://doi.org/10.5040/9781501334054.ch-027 -
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المؤلفون: Doree F. Sitkoff, C. David Sherrill, Daniel G. A. Smith, Lori A. Burns, Jeffrey B. Schriber, Daniel L. Cheney, Dominic A. Sirianni
المصدر: The Journal of Chemical Physics. 154:234107
مصطلحات موضوعية: Physics, Speedup, 010304 chemical physics, Static Electricity, General Physics and Astronomy, Interaction energy, 010402 general chemistry, 01 natural sciences, London dispersion force, 0104 chemical sciences, Coupled cluster, 0103 physical sciences, Dispersion (optics), Quantum Theory, Limit (mathematics), Perturbation theory (quantum mechanics), Statistical physics, Physical and Theoretical Chemistry, Scaling, Algorithms
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المؤلفون: Daniel G. A. Smith, Harley R. McAlexander, Konrad Patkowski, A. Eugene DePrince, Ashutosh Kumar, Prakash Verma, Andrew M. James, Edward G. Hohenstein, Alexander Yu. Sokolov, Francesco A. Evangelista, Andrew C. Simmonett, Lori A. Burns, Jérôme F. Gonthier, T. Daniel Crawford, Justin M. Turney, Rollin A. King, C. David Sherrill, Xiao Wang, Robert M. Parrish, Roberto Di Remigio, Ryan M. Richard, Masaaki Saitow, Uğur Bozkaya, Edward F. Valeev, Henry F. Schaefer, Benjamin P. Pritchard
المصدر: J Chem Theory Comput
Journal of chemical theory and computation, vol 13, iss 7مصطلحات موضوعية: Computer science, Interoperability, 010402 general chemistry, Energy minimization, 01 natural sciences, Article, Computational science, Computer Software, Theoretical and Computational Chemistry, 0103 physical sciences, Physical and Theoretical Chemistry, computer.programming_language, Chemical Physics, 010304 chemical physics, business.industry, Python (programming language), Automation, 0104 chemical sciences, Computer Science Applications, Workflow, Coupled cluster, Density functional theory, Biochemistry and Cell Biology, business, computer, Cholesky decomposition
وصف الملف: application/pdf
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المؤلفون: Lori A. Burns, Dominic A. Sirianni, C. David Sherrill
المصدر: Journal of Chemical Theory and Computation. 13:86-99
مصطلحات موضوعية: Physics, Theoretical computer science, 010304 chemical physics, Basis (linear algebra), Computation, 010402 general chemistry, 01 natural sciences, 0104 chemical sciences, Computer Science Applications, Benchmarking, Coupled cluster, Test set, 0103 physical sciences, Convergence (routing), Quantum Theory, Limit (mathematics), Statistical physics, Physical and Theoretical Chemistry, Basis set, Ansatz
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المؤلفون: C. David Sherrill, Asem Alenaizan, Lori A. Burns
المصدر: International Journal of Quantum Chemistry. 120
مصطلحات موضوعية: Physics, business.industry, NumPy, Charge model, Python (programming language), Condensed Matter Physics, Atomic and Molecular Physics, and Optics, Computational science, Software, Atomic charge, Physical and Theoretical Chemistry, business, computer, computer.programming_language
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10كتاب إلكتروني
المؤلفون: Lori A. Burns, Stan Hawkins
نوع المادة: eBook.
تصنيفات: MUSIC / Reference, MUSIC / History & Criticism
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