Structure and dynamics of the protic ionic liquid monomethylammonium nitrate ([CH3NH3][NO3]) from ab initio molecular dynamics simulations.
about
Rotational dynamics of benzene and water in an ionic liquid explored via molecular dynamics simulations and NMR T1 measurements.Dual Ionic and Organic Nature of Ionic Liquids.Force fields for studying the structure and dynamics of ionic liquids: a critical review of recent developments.Computer simulations of ionic liquids at electrochemical interfaces.Hydrogen bonding in ionic liquids.Hydrogen bonding in the protic ionic liquid triethylammonium nitrate explored by density functional tight binding simulations.Structural and vibrational study of 2-MethoxyEthylAmmonium Nitrate (2-OMeEAN): Interpretation of experimental results with ab initio molecular dynamics.Computational studies of room temperature ionic liquid-water mixtures.Interactions in ion pairs of protic ionic liquids: comparison with aprotic ionic liquids.Assessment of Kohn-Sham density functional theory and Møller-Plesset perturbation theory for ionic liquids.Modern ab initio valence bond theory calculations reveal charge shift bonding in protic ionic liquids.Mixtures of protic ionic liquids and molecular cosolvents: a molecular dynamics simulation.Towards open boundary molecular dynamics simulation of ionic liquids.Mapping the Free Energy of Lithium Solvation in the Protic Ionic Liquid Ethylammonuim Nitrate: A Metadynamics Study.Molecular dynamics study of nanoscale organization and hydrogen bonding in binary mixtures of butylammonium nitrate ionic liquid and primary alcohols.Brønsted acidity of protic ionic liquids: a modern ab initio valence bond theory perspective.Deep eutectic solvents: similia similibus solvuntur?Depolarization of water in protic ionic liquids.Accurate prediction of energetic properties of ionic liquid clusters using a fragment-based quantum mechanical method.A prototypical ionic liquid explored by ab initio molecular dynamics and Raman spectroscopy.The effect of Thole functions on the simulation of ionic liquids with point induced dipoles at various densities
P2860
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P2860
Structure and dynamics of the protic ionic liquid monomethylammonium nitrate ([CH3NH3][NO3]) from ab initio molecular dynamics simulations.
description
2010 nî lūn-bûn
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2010年の論文
@ja
2010年学术文章
@wuu
2010年学术文章
@zh
2010年学术文章
@zh-cn
2010年学术文章
@zh-hans
2010年学术文章
@zh-my
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@zh-sg
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@yue
2010年學術文章
@zh-hant
name
Structure and dynamics of the ...... olecular dynamics simulations.
@en
Structure and dynamics of the protic ionic liquid monomethylammonium nitrate
@nl
type
label
Structure and dynamics of the ...... olecular dynamics simulations.
@en
Structure and dynamics of the protic ionic liquid monomethylammonium nitrate
@nl
prefLabel
Structure and dynamics of the ...... olecular dynamics simulations.
@en
Structure and dynamics of the protic ionic liquid monomethylammonium nitrate
@nl
P2860
P50
P356
P1476
Structure and dynamics of the ...... olecular dynamics simulations.
@en
P2093
Stefan Zahn
P2860
P304
P356
10.1063/1.3354108
P407
P577
2010-03-01T00:00:00Z