화학공학소재연구정보센터
검색결과 : 65건
No. Article
1 Dynamics on Multiple Potential Energy Surfaces: Quantitative Studies of Elementary Processes Relevant to Hypersonics
Koner D, Bemish RJ, Meuwly M
Journal of Physical Chemistry A, 124(31), 6255, 2020
2 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
3 Machine Learning for Observables: Reactant to Product State Distributions for Atom-Diatom Collisions
Arnold J, Koner D, Kaser S, Singh N, Bemish RJ, Meuwly M
Journal of Physical Chemistry A, 124(35), 7177, 2020
4 Water Dynamics Around Proteins: T- and R-States of Hemoglobin and Melittin
Pezzella M, El Hage K, Niesen MJM, Shin S, Willard AP, Meuwly M, Karplus M
Journal of Physical Chemistry B, 124(30), 6540, 2020
5 Dynamics and Infrared Spectrocopy of Monomeric and Dimeric Wild Type and Mutant Insulin
Salehi SM, Koner D, Meuwly M
Journal of Physical Chemistry B, 124(52), 11882, 2020
6 Molecular Determinants for Rate Acceleration in the Claisen Rearrangement Reaction
Brickel S, Meuwly M
Journal of Physical Chemistry B, 123(2), 448, 2019
7 Vibrational Spectroscopy of N-3(-) in the Gas and Condensed Phase
Salehi SM, Koner D, Meuwly M
Journal of Physical Chemistry B, 123(15), 3282, 2019
8 Effect of Single-Point Mutations on Nitric Oxide Rebinding and the Thermodynamic Stability of Myoglobin
Diamantis P, El Hage K, Meuwly M
Journal of Physical Chemistry B, 123(9), 1961, 2019
9 Probing the Differential Dynamics of the Monomeric and Dimeric Insulin from Amide-I IR Spectroscopy
Desmond JL, Koner D, Meuwly M
Journal of Physical Chemistry B, 123(30), 6588, 2019
10 Multistate Reactive Molecular Dynamics Simulations of Proton Diffusion in Water Clusters and in the Bulk
Xu ZH, Meuwly M
Journal of Physical Chemistry B, 123(46), 9846, 2019