相关参考文献
注意：仅列出部分参考文献，下载原文获取全部文献信息。Solvent Dynamics Are Critical to Understanding Carbon Dioxide Dissolution and Hydration in Water
John Mark P. Martirez et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2023)
Computational Insights into Mg2+ Dehydration in the Presence of Carbonate
Julie Aufort et al.
ACS EARTH AND SPACE CHEMISTRY (2022)
Saline Water-Based Mineralization Pathway for Gigatonne-Scale CO2 Management
Erika Callagon La Plante et al.
ACS SUSTAINABLE CHEMISTRY & ENGINEERING (2021)
Optimized Magnesium Force Field Parameters for Biomolecular Simulations with Accurate Solvation, Ion-Binding, and Water-Exchange Properties
Kara K. Grotz et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2021)
Kinetic pathways of water exchange in the first hydration shell of magnesium: Influence of water model and ionic force field
Sebastian Falkner et al.
JOURNAL OF CHEMICAL PHYSICS (2021)
A novel technology of carbon dioxide adsorption and mineralization via seawater decalcification by bipolar membrane electrodialysis system with a crystallizer
Yingying Zhao et al.
CHEMICAL ENGINEERING JOURNAL (2020)
Hydration Mimicry by Membrane Ion Channels
Mangesh I. Chaudhari et al.
ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 71 (2020)
Electrochemical calcareous deposition in seawater. A review
Charlotte Carre et al.
ENVIRONMENTAL CHEMISTRY LETTERS (2020)
The Molpro quantum chemistry package
Hans-Joachim Werner et al.
JOURNAL OF CHEMICAL PHYSICS (2020)
Ion Pairing and Multiple Ion Binding in Calcium Carbonate Solutions Based on a Polarizable AMOEBA Force Field and Ab Initio Molecular Dynamics
Paolo Raiteri et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2020)
Kinetic pathways of water exchange in the first hydration shell of magnesium
Nadine Schwierz
JOURNAL OF CHEMICAL PHYSICS (2020)
Mineralization Technology for Carbon Capture, Utilization, and Storage
Colin D. Hills et al.
FRONTIERS IN ENERGY RESEARCH (2020)
Interatomic potentials of Mg ions in aqueous solutions: structure and dehydration kinetics
Xinxing Zhang et al.
EUROPEAN JOURNAL OF MINERALOGY (2019)
Reconsidering Calcium Dehydration as the Rate-Determining Step in Calcium Mineral Growth
Janou A. Koskamp et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2019)
Carbon sequestration via enhanced weathering of peridotites and basalts in seawater
Ioannis Rigopoulos et al.
APPLIED GEOCHEMISTRY (2018)
Magnesium bicarbonate and carbonate interactions in aqueous solutions: An infrared spectroscopic and quantum chemical study
Andri Stefansson et al.
GEOCHIMICA ET COSMOCHIMICA ACTA (2017)
Ab initio molecular dynamics simulations of liquid water using high quality meta-GGA functionals
Luis Ruiz Pestana et al.
CHEMICAL SCIENCE (2017)
Calcium Carbonate Precipitation for CO2 Storage and Utilization: A Review of the Carbonate Crystallization and Polymorphism
Ribooga Chang et al.
FRONTIERS IN ENERGY RESEARCH (2017)
Room Temperature Magnesite Precipitation
Ian M. Power et al.
CRYSTAL GROWTH & DESIGN (2017)
Implementation of density functional embedding theory within the projector-augmented-wave method and applications to semiconductor defect states
Kuang Yu et al.
JOURNAL OF CHEMICAL PHYSICS (2015)
The size and structure of selected hydrated ions and implications for ion channel selectivity
Zhong-Hua Yang
RSC ADVANCES (2015)
Embedded Correlated Wavefunction Schemes: Theory and Applications
Florian Libisch et al.
ACCOUNTS OF CHEMICAL RESEARCH (2014)
A review of mineral carbonation technologies to sequester CO2
A. Sanna et al.
CHEMICAL SOCIETY REVIEWS (2014)
Describing Noncovalent Interactions beyond the Common Approximations: How Accurate Is the Gold Standard, CCSD(T) at the Complete Basis Set Limit?
Jan Rezac et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2013)
Importance of Metal Hydration on the Selectivity of Mg2+ versus Ca2+ in Magnesium Ion Channels
Todor Dudev et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2013)
Thermodynamics of Carbonates
A. V. Radha et al.
GEOCHEMISTRY OF GEOLOGIC CO2 SEQUESTRATION (2013)
Calcium Carbonate Polyamorphism and Its Role in Biomineralization: How Many Amorphous Calcium Carbonates Are There?
Julyan H. E. Cartwright et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2012)
Magnesium basics
Wilhelm Jahnen-Dechent et al.
CLINICAL KIDNEY JOURNAL (2012)
Quantum mechanical embedding theory based on a unique embedding potential
Chen Huang et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
Effect of the Damping Function in Dispersion Corrected Density Functional Theory
Stefan Grimme et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2011)
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
Stefan Grimme et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Molecular Dynamics of Ion Hydration in the Presence of Small Carboxylated Molecules and Implications for Calcification
Laura M. Hamm et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2010)
Structure and dynamics of the hydrated magnesium ion and of the solvated magnesium carbonates: insights from first principles simulations
Devis Di Tommaso et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2010)
Regulation of mitochondrial dehydrogenases by calcium ions
Richard M. Denton
BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS (2009)
Precipitation in the Mg-carbonate system -: effects of temperature and CO2 pressure
Markus Haenchen et al.
CHEMICAL ENGINEERING SCIENCE (2008)
Biomimetic CaCO3 Mineralization using Designer Molecules and Interfaces
Nico A. J. M. Sommerdijk et al.
CHEMICAL REVIEWS (2008)
Cell (patho) physiology of magnesium
Federica I. Wolf et al.
CLINICAL SCIENCE (2008)
The composition of Standard Seawater and the definition of the Reference-Composition Salinity Scale
Frank J. Millero et al.
DEEP-SEA RESEARCH PART I-OCEANOGRAPHIC RESEARCH PAPERS (2008)
The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals
Yan Zhao et al.
THEORETICAL CHEMISTRY ACCOUNTS (2008)
Hydration properties of magnesium and calcium ions from constrained first principles molecular dynamics
Takashi Ikeda et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Ions in water: Characterizing the forces that control chemical processes and biological structure
Kim D. Collins et al.
BIOPHYSICAL CHEMISTRY (2007)
Regulation of magnesium homeostasis and transport in mammalian cells
Andrea Romani
ARCHIVES OF BIOCHEMISTRY AND BIOPHYSICS (2007)
A new local density functional for main-group thermochemistry, transition metal bonding, thermochemical kinetics, and noncovalent interactions
Yan Zhao et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Simulation of Ca2+ and Mg2+ solvation using polarizable atomic multipole potential
Dian Jiao et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2006)
Towards accurate solvation dynamics of divalent cations in water using the polarizable amoeba force field: From energetics to structure
Jean-Philip Piquemal et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Benchmark database of accurate (MP2 and CCSD(T) complete basis set limit) interaction energies of small model complexes, DNA base pairs, and amino acid pairs
P Jurecka et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2006)
A density-functional model of the dispersion interaction
AD Becke et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Biased sampling of nonequilibrium trajectories: Can fast switching simulations outperform conventional free energy calculation methods?
H Oberhofer et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2005)
Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy
F Weigend et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2005)
Solvation of calcium ion in polar solvents:: An X-ray diffraction and ab initio study
T Megyes et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2004)
Possible roles of magnesium on the immune system
M Tam et al.
EUROPEAN JOURNAL OF CLINICAL NUTRITION (2003)
Understanding the effects of concentration on the solvation structure of Ca2+ in aqueous solution.: I:: The perspective on local structure from EXAFS and XANES
JL Fulton et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2003)
An overview of CO2 mitigation options for global warming -: Emphasizing CO2 sequestration options
A Yamasaki
JOURNAL OF CHEMICAL ENGINEERING OF JAPAN (2003)
Permeation and selectivity in calcium channels
WA Sather et al.
ANNUAL REVIEW OF PHYSIOLOGY (2003)
A first principles molecular dynamics simulation of the hydrated magnesium ion
FC Lightstone et al.
CHEMICAL PHYSICS LETTERS (2001)
Hydration of the calcium ion.: An EXAFS, large-angle X-ray scattering, and molecular dynamics simulation study
F Jalilehvand et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2001)
The dolomite problem revisited
HD Holland et al.
INTERNATIONAL GEOLOGY REVIEW (2000)
分享论文
