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1.
Solvation structures of calcium and magnesium ions in water with the presence of hydroxide: a study by deep potential molecular dynamics.
Phys Chem Chem Phys
; 25(2): 983-993, 2023 Jan 04.
Artículo
en Inglés
| MEDLINE | ID: mdl-36519362
2.
Implementation of the meta-GGA exchange-correlation functional in numerical atomic orbital basis: With systematic testing on SCAN, rSCAN, and r2SCAN functionals.
J Chem Phys
; 159(7)2023 Aug 21.
Artículo
en Inglés
| MEDLINE | ID: mdl-37602804
3.
DeePKS + ABACUS as a Bridge between Expensive Quantum Mechanical Models and Machine Learning Potentials.
J Phys Chem A
; 126(49): 9154-9164, 2022 Dec 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-36455227
4.
Structural and dynamic properties of solvated hydroxide and hydronium ions in water from ab initio modeling.
J Chem Phys
; 157(2): 024503, 2022 Jul 14.
Artículo
en Inglés
| MEDLINE | ID: mdl-35840383
5.
Photoelectrochemical immunoassay platform based on MoS2 nanosheets integrated with gold nanostars for neuron-specific enolase assay.
Mikrochim Acta
; 187(8): 480, 2020 08 02.
Artículo
en Inglés
| MEDLINE | ID: mdl-32743701
6.
Characterization of the Hydrogen-Bond Network in High-Pressure Water by Deep Potential Molecular Dynamics.
J Chem Theory Comput
; 19(16): 5602-5608, 2023 Aug 22.
Artículo
en Inglés
| MEDLINE | ID: mdl-37535904
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