pKa of silicic acid in presence of La3+ using single sweep method coupled to DFT-based molecular dynamics

Author： Spezia Riccardo   Vuilleumier Rodolphe  

Publisher： Taylor & Francis Ltd

ISSN： 1362-3028

Source： Molecular Physics, Vol.111, Iss.22-23, 2013-12, pp. : 3478-3485

Disclaimer: Any content in publications that violate the sovereignty, the constitution or regulations of the PRC is not accepted or approved by CNPIEC.

Previous Menu Next

Abstract

Related content

Hydration structure of Na+ and K+ from ab initio molecular dynamics based on modern density functional theory

By Bankura Arindam   Carnevale Vincenzo   Klein Michael L.  

Molecular Physics, Vol. 112, Iss. 9-10, 2014-05 ,pp. : 1448-1456

Taylor & Francis Ltd

Access to resources Recommend Favorite

High-voltage optoelectronic voltage converter using a cascade of tunnel-coupled p +-i-n + diodes

By Rebane Yu.   Shreter Yu.  

Technical Physics Letters, Vol. 24, Iss. 11, 1998-11 ,pp. : 857-859

MAIK Nauka/Interperiodica

Access to resources Recommend Favorite

Electroluminescence of ZnO-based p-i-n structures fabricated by the ultrasound-spraying method

By Khabibullaev P.   Yuldashev Sh.   Nusretov R.   Khvan I.  

Doklady Physics, Vol. 52, Iss. 6, 2007-06 ,pp. : 300-302

MAIK Nauka/Interperiodica

Access to resources Recommend Favorite

Autoionization dynamics of even Ar (3p51/2np', nf') resonances: comparison of experiment and theory

By Petrov I D   Sukhorukov V L   Hollenstein U   Kaufmann L J   Merkt F   Hotop H  

Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 44, Iss. 2, 2011-01 ,pp. : 25004-25014

IOP Publishing

Access to resources Recommend Favorite

Theoretical study of noble gases diffraction from Ru(0001) using van der Waals DFT-based potentials

By  

Journal of Physics: Conference Series , Vol. 635, Iss. 3, 2015-09 ,pp. : 4-4

IOP Publishing

Access to resources Recommend Favorite