화학공학소재연구정보센터
검색결과 : 3건
No. Article
1 Machine Learning Models of Vibrating H2CO: Comparing Reproducing Kernels, FCHL, and PhysNet
Kaser S, Koner D, Christensen AS, von Lilienfeld OA, Meuwly M
Journal of Physical Chemistry A, 124(42), 8853, 2020
2 Molecular Simulation of the Thermal and Transport Properties of Three Alkali Nitrate Salts
Jayaraman S, Thompson AP, von Lilienfeld OA, Maginn EJ
Industrial & Engineering Chemistry Research, 49(2), 559, 2010
3 Enol Tautomers of Watson-Crick Base Pair Models Are Metastable Because of Nuclear Quantum Effects
Perez A, Tuckerman ME, Hjalmarson HP, von Lilienfeld OA
Journal of the American Chemical Society, 132(33), 11510, 2010