Thermodynamics of liquids: standard molar entropies and heat capacities of common solvents from 2PT molecular dynamics.
about
Interlayer water regulates the bio-nano interface of a β-sheet protein stacking on graphene.Predicting hydration Gibbs energies of alkyl-aromatics using molecular simulation: a comparison of current force fields and the development of a new parameter set for accurate solvation data.Thermodynamic insight into spontaneous hydration and rapid water permeation in aquaporinsForce Field Benchmark of Organic Liquids: Density, Enthalpy of Vaporization, Heat Capacities, Surface Tension, Isothermal Compressibility, Volumetric Expansion Coefficient, and Dielectric Constant.Hydration Dynamics of a Peripheral Membrane Protein.Microscopic properties of liquid water from combined ab initio molecular dynamics and energy decomposition studies.Signatures of Solvation Thermodynamics in Spectra of Intermolecular Vibrations.Distinct Protein Hydration Water Species Defined by Spatially Resolved Spectra of Intermolecular Vibrations.Absolute thermodynamic properties of molten salts using the two-phase thermodynamic (2PT) superpositioning method.On the absolute thermodynamics of water from computer simulations: a comparison of first-principles molecular dynamics, reactive and empirical force fields.Thermodynamic origins of the solvent-dependent stability of lithium polysulfides from first principles.Entropy of cellulose dissolution in water and in the ionic liquid 1-butyl-3-methylimidazolim chloride.Solid-liquid coexistence in small systems: A statistical method to calculate melting temperatures.Molecular simulation of caloric properties of fluids modelled by force fields with intramolecular contributions: Application to heat capacities.Comparison of simulation and experimental results for a model aqueous tert-butanol solution.Overstretching of B-DNA with various pulling protocols: Appearance of structural polymorphism and S-DNA.Thermodynamics of fluid conduction through hydrophobic channel of carbon nanotubes: the exciting force for filling of nanotubes with polar and nonpolar fluids.The effect of structural modifications on the thermal stability, melting points and ion interactions for a series of tetraaryl-phosphonium-based mesothermal ionic liquids.Fully atomistic molecular-mechanical model of liquid alkane oils: Computational validation.First-principles assessment of CO2 capture mechanisms in aqueous piperazine solution.A molecular dynamics study of the equation of state and the structure of supercooled aqueous solutions of methanol.Understanding CO2 capture mechanisms in aqueous hydrazine via combined NMR and first-principles studies.Cross-plane heat transfer through single-layer carbon structures.
P2860
Q27309171-478CF326-A95D-490C-95FA-2B453DAB2ED2Q34006936-7CAE2912-7A19-4598-8BBB-0AEAE8854046Q34296131-9E644954-1E28-46B3-8E39-0DDD94C4648EQ35661996-05FA770E-4D86-4BB0-BF4B-CA0C8254FE27Q36109216-C5645409-77A9-4CAE-9F1B-F36EC04E463AQ38127565-E118C701-6ADE-42F6-B286-33F3579638ABQ41700223-886655B6-A5C1-498A-8DB6-B728D07FE366Q41700480-269DFC26-2484-4CA0-9A01-8ADB467ACA9DQ44871895-C38144C8-9ACE-4720-937F-DD06F1603DCEQ46379196-C76CE3B0-DD6A-4AB6-9967-6C182EE737C8Q46445204-75920C40-814A-4E8A-B618-3E76AF284D6CQ46503759-08FE8E7E-F7D6-465C-89E3-DD2343FDA1BBQ46936729-029AA9AC-AC58-45A1-8203-850CC98444CDQ47755418-ED8EB651-81E3-4BC0-A68A-F6565E426AF3Q47970683-1611D42F-1B28-4058-9670-46B967E881E4Q48046200-6768830B-05F7-47AF-A1AB-CA91C597ED39Q48532324-ACB0147F-8005-4108-9882-4026A2FF9EF5Q49814563-CD68D1F0-5149-48AF-B405-F18F81348022Q51110227-5AD2CDF0-55CE-4955-B321-B53293B89A6AQ51143902-8415C85D-E443-4DA7-8C17-D98085B78F65Q51298920-550C649C-D5DD-4D62-813A-1C6C64F90D3EQ53098478-883DCE38-3E3A-4857-9FA3-D7552FB72315Q53799836-4BA31518-F43D-4726-8803-309D4306F5F9
P2860
Thermodynamics of liquids: standard molar entropies and heat capacities of common solvents from 2PT molecular dynamics.
description
2010 nî lūn-bûn
@nan
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
2010年学术文章
@zh-sg
2010年學術文章
@yue
2010年學術文章
@zh-hant
name
Thermodynamics of liquids: sta ...... s from 2PT molecular dynamics.
@en
Thermodynamics of liquids: sta ...... s from 2PT molecular dynamics.
@nl
type
label
Thermodynamics of liquids: sta ...... s from 2PT molecular dynamics.
@en
Thermodynamics of liquids: sta ...... s from 2PT molecular dynamics.
@nl
prefLabel
Thermodynamics of liquids: sta ...... s from 2PT molecular dynamics.
@en
Thermodynamics of liquids: sta ...... s from 2PT molecular dynamics.
@nl
P2860
P356
P1476
Thermodynamics of liquids: sta ...... s from 2PT molecular dynamics.
@en
P2093
Tod A Pascal
William A Goddard
P2860
P304
P356
10.1039/C0CP01549K
P407
P577
2010-11-23T00:00:00Z