Modeling metal dissolution in aqueous electrolyte: Hartree-fock and molecular dynamics calculations

Modeling metal dissolution in aqueous electrolyte: Hartree-fock and molecular dynamics calculations

ACS Symposium Series

Saved in:

書目詳細資料
Main Authors:	Eglitis, R.I., Izvekov, S.V., Philpott, M.R.
其他作者:	MATERIALS SCIENCE
格式:	Article
出版:	2014
在線閱讀:	http://scholarbank.nus.edu.sg/handle/10635/107126
標簽:	添加標簽沒有標簽, 成為第一個標記此記錄!
機構:	National University of Singapore

相似書籍

Metal dissolution in aqueous electrolyte Semi-empirical Hartree-Fock and ab initio MD calculations
由: Eglitis, R.I., et al.
出版: (2014)

Computer modelling of metal dissolution in the presence of aqueous electrolyte
由: Eglitis, R.I., et al.
出版: (2014)

Ab initio simulation of metal cluster surrounded by electrolyte
由: Izvekov, S., et al.
出版: (2014)

NUCLEAR CHARGE RADII CALCULATION OF EXOTIC MAGNESIUM ISOTOPES USING SKYRME-HARTREE-FOCK METHOD
由: Zhafran Yudhistira, Muhammad

SOLVING HARTREE-FOCK-ROOTHAAN EQUATION USING MATLAB-BASED PROGRAM
由: Yudha Rabbani, Zaky

SOLVING HARTREE-FOCK-ROOTHAAN EQUATION USING MATLAB-BASED PROGRAM
由: YUDHA RABBANI (NIM: 10213088), ZAKY

Ab initio molecular dynamics simulation of LiBr association in water
由: Izvekov, S., et al.
出版: (2014)

Telaah komputasi struktur atom banyak elektron dengan metode Hartree-Fock
由: , NURHAYATI, et al.
出版: (1997)

Quantum corrections to the semiclassical Hartree-Fock theory of a harmonically trapped Bose gas
由: Schumayer, D., et al.
出版: (2016)

AB INITIO COMPUTATIONAL STUDY ON AROMATICITY OF PYRROLE, FURAN AND TIOPHENE RADICAL BY HARTREE FOCK METHOD
由: Hendra Saputera, Wibawa

KAJIAN TENTANG SIFAT KERAK LUAR BINTANG NEUTRON DENGAN PENGHAMPIRAN MODEL MASSA HARTREE FOCK BOGOLIUBOV
由: , I PUTU EKA WIDYA PRATAMA, et al.
出版: (2014)

Kajian metode penghampiran hartree-fock untuk atom-atom ringan dan potensi penggunaannya untuk atom barium
由: , SULISTYANI, Eko Tri, et al.
出版: (2010)

Structures, energetics and vibrational frequencies of zeolitic catalysts: a comparison between density functional and post-Hartree-Fock approaches
由: Jumras Limtrakul, et al.
出版: (2018)

Ab initio COmputational Study of the Propesties of Octahedral Complex Between Iron (III) and N-benzoyl-N'-phenylthiourea Ligand using Hartree-Fock Method
由: KOYIMATU (NIM 10505076), MUHAMAD

Ab initio computational studies of properties and mechanism reaction complex compound between copper (II) and ligan N-phenyl-N'-benzoylthiourea with the Hartree-Fock method
由: NIAN (NIM 10505018), ARIEL

KAJIAN HUBUNGAN KUANTITATIF STRUKTUR-AKTIVITAS ANTIMALARIA TURUNAN QUINOLON-4(1H)-IMINE MENGGUNAKAN DESKRIPTOR HASIL PERHITUNGAN METODE AB INITIO HARTREE-FOCK
由: , Jafar La Kilo, et al.
出版: (2014)

Calculation of state-to-state cross sections for triatomic reaction by the multi-configuration time-dependent Hartree method
由: Lee, Soo-Ying, et al.
出版: (2014)

Semiconductor-metal transition of pyrite FeS2 under high pressure by full-potential linearized-augmented plane wave calculations
由: Cai, J., et al.
出版: (2014)

Realization of quantum circuits in fock space
由: Ma, L., et al.
出版: (2014)

Numerical methods for computing ground states and dynamics of nonlinear relativistic Hartree equation for boson stars
由: Bao, W., et al.
出版: (2014)

Time-dependent Hartree approximation applied to the photodissociation of ICN
由: Lee, S.-Y.
出版: (2014)

Elemental composition of urban street dusts and their dissolution characteristics in various aqueous media
由: Joshi, U.M., et al.
出版: (2014)

Molecular dynamics simulation of water in a contact with an iron pyrite FeS 2 surface
由: Philpott, M.R., et al.
出版: (2014)

Canonical bases for Fock spaces and tensor products
由: Chuang, Joseph, et al.
出版: (2019)

Molecular engineering of dihydroxyanthraquinone-based electrolytes for high-capacity aqueous organic redox flow batteries
由: Huang, S, et al.
出版: (2023)

Complex symmetry of weighted composition operators on the Fock space
由: Hai, Pham Viet, et al.
出版: (2015)

Weighted composition operators between different fock spaces
由: Tien, Pham Trong, et al.
出版: (2019)

Differences of weighted composition operators between the Fock spaces
由: Tien, Pham Trong, et al.
出版: (2019)

Complex symmetry & weighted composition operators on fock spaces
由: Pham Viet Hai
出版: (2017)

Kleshchev's decomposition numbers and branching coefficients in the fock Space
由: Chuang, J., et al.
出版: (2014)

Row and column removal in the q-deformed Fock space
由: Chuang, J., et al.
出版: (2014)

Optical properties of metal free and metal phthalocyanine by molecular band calculation
由: S. Pengmanayol, et al.
出版: (2018)

Evolution of the dizincocene metal-metal bond in the series Zn2L2 where L = H, CH3, F, η5-C5H5
由: Philpott, M.R., et al.
出版: (2014)

Ion transport pathways in molecular dynamics simulated alkali silicate glassy electrolytes
由: Prasada Rao, R., et al.
出版: (2014)

Comparison of several diffusion equations in the calculation of viscosity and its relation to dissolution rate
由: Narong Sarisuta, et al.
出版: (2010)

Meta-Analysis on the Dissolution of Bamboo (Bambusa) Cellulose using NaOH/urea Aqueous Solution
由: Cristobal, Jasmin Nicole B., et al.
出版: (2021)

Modeling the effects of salt concentration on aqueous and organic electrolytes
由: van der Lubbe, Stephanie CC, et al.
出版: (2024)

The importance of the dissolution of polysulfides in lithium-sulfur batteries and a perspective on high-energy electrolyte/cathode design
由: Yu, Linghui, et al.
出版: (2022)

Synchronous electrolyte design for static aqueous zinc-halogen batteries
由: Xiao, Tao, et al.
出版: (2025)

Complex symmetric weighted composition operators on the Fock space in several variables
由: Hai, Pham Viet, et al.
出版: (2019)