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Fast and Accurate Modeling of Molecular Atomization Energies with Machine LearningExploring dissociative water adsorption on isoelectronically BN doped graphene using alchemical derivatives.A reference-free stockholder partitioning method based on the force on electrons.Study of the Chemical Space of Selected Bacteriostatic Sulfonamides from an Information Theory Point of View.How predictive could alchemical derivatives be?Guiding ab initio calculations by alchemical derivatives.Higher order alchemical derivatives from coupled perturbed self-consistent field theory.Fourier series of atomic radial distribution functions: A molecular fingerprint for machine learning models of quantum chemical propertiesInverse quantum chemistry: Concepts and strategies for rational compound design
P2860
Q27144201-27B5DDF2-A35A-4E9E-8389-5C3597DEA5E8Q47815919-E43915F2-0B54-4093-95CC-8C4C4F793806Q48048625-8E1CC520-A1FB-4028-BDB1-A0EC43EA3473Q48178562-D269CD38-AFE0-4CC6-A77A-3954622E5F66Q50595348-3A19E4AD-3242-469C-ABCF-9271F9C9CCBCQ50691716-76DB4206-77DE-4274-8C06-039CA6C606F8Q51436316-A9240BD9-8B36-4557-AC0D-54A64A0CD32EQ56919389-BB80EC8E-3D45-4748-8B0B-061AD57AEB45Q57905312-0FF33917-FC2A-483B-9BFC-D4894172B149
P2860
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
Alchemical derivatives of reaction energetics.
@en
Alchemical derivatives of reaction energetics.
@nl
type
label
Alchemical derivatives of reaction energetics.
@en
Alchemical derivatives of reaction energetics.
@nl
prefLabel
Alchemical derivatives of reaction energetics.
@en
Alchemical derivatives of reaction energetics.
@nl
P2860
P356
P1476
Alchemical derivatives of reaction energetics.
@en
P2093
Daniel Sheppard
P2860
P304
P356
10.1063/1.3474502
P407
P577
2010-08-01T00:00:00Z