Absolute Organic Crystal Thermodynamics: Growth of the Asymmetric Unit into a Crystal via Alchemy.
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Multipolar Ewald methods, 2: applications using a quantum mechanical force fieldToward polarizable AMOEBA thermodynamics at fixed charge efficiency using a dual force field approach: application to organic crystals.Predicting Binding Free Energies: Frontiers and Benchmarks.Ab initio thermodynamic properties and their uncertainties for crystalline α-methanol.Torque and atomic forces for Cartesian tensor atomic multipoles with an application to crystal unit cell optimization.Predicting finite-temperature properties of crystalline carbon dioxide from first principles with quantitative accuracy.
P2860
Absolute Organic Crystal Thermodynamics: Growth of the Asymmetric Unit into a Crystal via Alchemy.
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2014 nî lūn-bûn
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Absolute Organic Crystal Therm ...... it into a Crystal via Alchemy.
@en
Absolute Organic Crystal Therm ...... it into a Crystal via Alchemy.
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Absolute Organic Crystal Therm ...... it into a Crystal via Alchemy.
@en
Absolute Organic Crystal Therm ...... it into a Crystal via Alchemy.
@nl
prefLabel
Absolute Organic Crystal Therm ...... it into a Crystal via Alchemy.
@en
Absolute Organic Crystal Therm ...... it into a Crystal via Alchemy.
@nl
P2093
P356
P1476
Absolute Organic Crystal Therm ...... it into a Crystal via Alchemy.
@en
P2093
Brian McClain
Dainius Macikenas
Ian Nessler
Jooyeon Park
Michael J Schnieders
P304
P356
10.1021/CT500180M
P577
2014-07-01T00:00:00Z