Search

Your search keyword '"Heindel, Joseph P."' showing total 40 results

Search Constraints

Start Over You searched for: Author "Heindel, Joseph P." Remove constraint Author: "Heindel, Joseph P."
40 results on '"Heindel, Joseph P."'

Search Results

1. The Role of Interfaces and Charge for Chemical Reactivity in Microdroplets

2. Simple and Accurate One-Body Energy and Dipole Moment Surfaces for Water and Beyond

3. Completely Multipolar Model as a General Framework for Many-Body Interactions as Illustrated for Water

4. Water Structure and Electric Fields at the Interface of Oil Droplets

5. The Role of Charge in Microdroplet Redox Chemistry

6. The role of charge in microdroplet redox chemistry

7. Beyond potential energy surface benchmarking: a complete application of machine learning to chemical reactivity

8. Using Diffusion Maps to Analyze Reaction Dynamics for a Hydrogen Combustion Benchmark Dataset

9. M-Chem: a modular software package for molecular simulation that spans scientific domains

10. Spontaneous Formation of Hydrogen Peroxide in Water Microdroplets

12. HydroNet: Benchmark Tasks for Preserving Intermolecular Interactions and Structural Motifs in Predictive and Generative Models for Molecular Data

13. Descriptors of water aggregation.

16. Hydrogen bond arrangements in (H2O)20, 24, 28 clathrate hydrate cages: Optimization and many-body analysis.

21. M-Chem: a modular software package for molecular simulation that spans scientific domains

22. A look inside the black box: Using graph-theoretical descriptors to interpret a Continuous-Filter Convolutional Neural Network (CF-CNN) trained on the global and local minimum energy structures of neutral water clusters.

25. Atlas of putative minima and low-lying energy networks of water clusters n = 3–25.

33. Mapping the temperature-dependent and network site-specific onset of spectral diffusion at the surface of a water cluster cage.

36. Benchmark Electronic Structure Calculations for H3O+(H2O)n, n= 0–5, Clusters and Tests of an Existing 1,2,3-Body Potential Energy Surface with a New 4-Body Correction

37. Completely Multipolar Model as a General Framework for Many-Body Interactions as Illustrated for Water.

38. Hydrogen bond arrangements in (H 2 O) 20, 24, 28 clathrate hydrate cages: Optimization and many-body analysis.

39. Guest-Host Interactions in Clathrate Hydrates: Benchmark MP2 and CCSD(T)/CBS Binding Energies of CH 4 , CO 2 , and H 2 S in (H 2 O) 20 Cages.

40. Benchmark Electronic Structure Calculations for H 3 O + (H 2 O) n , n = 0-5, Clusters and Tests of an Existing 1,2,3-Body Potential Energy Surface with a New 4-Body Correction.

Catalog

Books, media, physical & digital resources