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。Water Interaction with Fe2NiP Schreibersite (110) Surface: a Quantum Mechanical Atomistic Perspective
Stefano Pantaleone et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2022)
First-Principles Surface Characterization and Water Adsorption of Fe3P Schreibersite
Riccardo Dettori et al.
ACS EARTH AND SPACE CHEMISTRY (2022)
Explicit solvent effects on (110) ruthenium oxide surface wettability: Structural, electronic and mechanical properties of rutile RuO2 by means of spin-polarized DFT-MD
Fabrizio Creazzo et al.
APPLIED SURFACE SCIENCE (2021)
VASPKIT: A user-friendly interface facilitating high-throughput computing and analysis using VASP code
Vei Wang et al.
COMPUTER PHYSICS COMMUNICATIONS (2021)
Lightning strikes as a major facilitator of prebiotic phosphorus reduction on early Earth
Benjamin L. Hess et al.
NATURE COMMUNICATIONS (2021)
Ab Initio Computational Study on Fe2NiP Schreibersite: Bulk and Surface Characterization
Stefano Pantaleone et al.
ACS EARTH AND SPACE CHEMISTRY (2021)
Phase relations in the Fe-P system at high pressures and temperatures from ab initio computations
Nursultan E. Sagatov et al.
HIGH PRESSURE RESEARCH (2020)
The Role of Meteorite Impacts in the Origin of Life
G. R. Osinski et al.
ASTROBIOLOGY (2020)
Schreibersite: an effective catalyst in the formose reaction network
S. Pallmann et al.
NEW JOURNAL OF PHYSICS (2018)
Adsorption of Water, Methanol, and Formic Acid on Fe2NiP, a Meteoritic Mineral Analogue
Danna Qasim et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2017)
Phase diagram, stability and electronic properties of an Fe-P system under high pressure: a first principles study
Ziyuan Zhao et al.
RSC ADVANCES (2017)
Schreibersite on the early Earth: Scenarios for prebiotic phosphorylation
Matthew A. Pasek
GEOSCIENCE FRONTIERS (2017)
The evolution of the surface of the mineral schreibersite in prebiotic chemistry
Nikita L. La Cruz et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2016)
Prebiotic chemicals-amino acid and phosphorus-in the coma of comet 67P/Churyumov-Gerasimenko
Kathrin Altwegg et al.
SCIENCE ADVANCES (2016)
Phosphorus: a Case for Mineral-Organic Reactions in Prebiotic Chemistry
Matthew Pasek et al.
ORIGINS OF LIFE AND EVOLUTION OF BIOSPHERES (2015)
First principles phonon calculations in materials science
Atsushi Togo et al.
SCRIPTA MATERIALIA (2015)
Nucleoside phosphorylation by the mineral schreibersite
Maheen Gull et al.
SCIENTIFIC REPORTS (2015)
High-pressure behavior of Fe3P and the role of phosphorus in planetary cores
Tingting Gu et al.
EARTH AND PLANETARY SCIENCE LETTERS (2014)
The pressures and temperatures of meteorite impact: Evidence from micro-Raman mapping of mineral phases in the strongly shocked Taiban ordinary chondrite
Tayro E. Acosta-Maeda et al.
AMERICAN MINERALOGIST (2013)
Supramolecular Binding Thermodynamics by Dispersion-Corrected Density Functional Theory
Stefan Grimme
CHEMISTRY-A EUROPEAN JOURNAL (2012)
Accurate and efficient algorithm for Bader charge integration
Min Yu et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
The convincing identification of terrestrial meteorite impact structures: What works, what doesn't, and why
Bevan M. French et al.
EARTH-SCIENCE REVIEWS (2010)
Reconstruction and stability of beta-cristobalite 001, 101, and 111 surfaces during dehydroxylation
Xavier Rozanska et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2010)
The Organic Composition of Carbonaceous Meteorites: The Evolutionary Story Ahead of Biochemistry
Sandra Pizzarello et al.
COLD SPRING HARBOR PERSPECTIVES IN BIOLOGY (2010)
Coupled cluster benchmarks of water monomers and dimers extracted from density-functional theory liquid water: The importance of monomer deformations
Biswajit Santra et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
A grid-based Bader analysis algorithm without lattice bias
W. Tang et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2009)
B3LYP augmented with an empirical dispersion term (B3LYP-D*) as applied to molecular crystals
Bartolomeo Civalleri et al.
CRYSTENGCOMM (2008)
Improved grid-based algorithm for Bader charge allocation
Edward Sanville et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2007)
A radical pathway for organic phosphorylation during schreibersite corrosion with implications for the origin of life
Matthew A. Pasek et al.
GEOCHIMICA ET COSMOCHIMICA ACTA (2007)
Semiempirical GGA-type density functional constructed with a long-range dispersion correction
Stefan Grimme
JOURNAL OF COMPUTATIONAL CHEMISTRY (2006)
Phosphorus in prebiotic chemistry
Alan W. Schwartz
PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY B-BIOLOGICAL SCIENCES (2006)
A fast and robust algorithm for Bader decomposition of charge density
Graeme Henkelman et al.
COMPUTATIONAL MATERIALS SCIENCE (2006)
Direct evidence for the availability of reactive, water soluble phosphorus on the early Earth. H-Phosphinic acid from the Nantan meteorite
David E. Bryant et al.
CHEMICAL COMMUNICATIONS (2006)
Efficient methods for finding transition states in chemical reactions: Comparison of improved dimer method and partitioned rational function optimization method
A Heyden et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Aqueous corrosion of phosphide minerals from iron meteorites: A highly reactive source of prebiotic phosphorus on the surface of the early Earth
MA Pasek et al.
ASTROBIOLOGY (2005)