المؤلفون: Alfonso Ferretti, Laura Canal, Robert A. Sorodoc, Sourab Sinha, Giuseppe Brancato

المصدر: Molecules, Vol 28, Iss 9, p 3834 (2023)

مصطلحات موضوعية: density functional theory, water clusters, water intermolecular energy, dispersion corrections, DFT-D4, Organic chemistry, QD241-441

العلاقة: https://www.mdpi.com/1420-3049/28/9/3834Test; https://doaj.org/toc/1420-3049Test; https://doaj.org/article/2cf0e679cbc844bf978918f003b7b9d9Test

الإتاحة: https://doi.org/10.3390/molecules28093834Test
https://doaj.org/article/2cf0e679cbc844bf978918f003b7b9d9Test

المؤلفون: Aleksandr V. Terentjev, Pietro Cortona, Lucian A. Constantin, José M. Pitarke, Fabio Della Sala, Eduardo Fabiano

المصدر: Computation, Vol 6, Iss 1, p 7 (2018)

مصطلحات موضوعية: density functional theory, exchange-correlation, dispersion corrections, non-covalent interactions, semiclassical atom, Electronic computers. Computer science, QA75.5-76.95

العلاقة: http://www.mdpi.com/2079-3197/6/1/7Test; https://doaj.org/toc/2079-3197Test; https://doaj.org/article/5a47a37bedb944a59c9b59907c51eb74Test

الإتاحة: https://doi.org/10.3390/computation6010007Test
https://doaj.org/article/5a47a37bedb944a59c9b59907c51eb74Test

المؤلفون: José María Pitarke, Aleksandr V. Terentjev, Pietro Cortona, Fabio Della Sala, Lucian A. Constantin, Eduardo Fabiano

المساهمون: Donostia International Physics Center - DIPC (SPAIN), Donostia International Physics Center (DIPC), University of the Basque Country/Euskal Herriko Unibertsitatea (UPV/EHU)-University of the Basque Country/Euskal Herriko Unibertsitatea (UPV/EHU), CICNanoGUNE, Laboratoire Structures, Propriétés et Modélisation des solides (SPMS), Institut de Chimie du CNRS (INC)-CentraleSupélec-Centre National de la Recherche Scientifique (CNRS), Center for Biomolecular Nanotechnologie, Instituto Italiano di Tecnologia, Istituto per la Microelettronica e Microsistemi [Catania] (IMM), Consiglio Nazionale delle Ricerche (CNR)

المصدر: Computation; Volume 6; Issue 1; Pages: 7
Computation, Vol 6, Iss 1, p 7 (2018)
Computation
Computation, MDPI, 2018, 6, ⟨10.3390/computation6010007⟩

مصطلحات موضوعية: General Computer Science, Ionic bonding, Semiclassical physics, Thermodynamics, exchange-correlation, 01 natural sciences, lcsh:QA75.5-76.95, Theoretical Computer Science, dispersion corrections, symbols.namesake, 0103 physical sciences, Atom, density functional theory, non-covalent interactions, semiclassical atom, Non-covalent interactions, [PHYS.COND]Physics [physics]/Condensed Matter [cond-mat], 010306 general physics, [PHYS]Physics [physics], chemistry.chemical_classification, Physics, 010304 chemical physics, Applied Mathematics, chemistry, Covalent bond, Modeling and Simulation, [PHYS.COND.CM-MS]Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci], symbols, Density functional theory, lcsh:Electronic computers. Computer science, van der Waals force, Dispersion (chemistry)

وصف الملف: application/pdf

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4df0bae5819f3f5c12333ab8e6ebc93fTest
https://doi.org/10.3390/computation6010007Test