E-LIB Suche - Ergebnisse für: Sherrill, C. David

1

Directional ΔG Neural Network (DrΔG-Net): A Modular Neural ..:

Metcalf, Derek P. ; Glick, Zachary L. ; Bortolato, Andrea...
Journal of Chemical Information and Modeling. 64 (2024) 6 - p. 1907-1918 , 2024

Link: https://doi.org/10.1021/..

2

Broadening access to small-molecule parameterization with t..:

Zeng, Yunlin ; Pavlova, Anna ; Nelson, Philip M....
The Journal of Chemical Physics. 160 (2024) 24 - p. , 2024

Link: https://doi.org/10.1063/..

3

A quantitative assessment of deformation energy in intermol..:

Sargent, Caroline T. ; Kasera, Raina ; Glick, Zachary L...
The Journal of Chemical Physics. 158 (2023) 24 - p. , 2023

Link: https://doi.org/10.1063/..

4

Benchmarking two-body contributions to crystal lattice ener..:

Sargent, Caroline T. ; Metcalf, Derek P. ; Glick, Zachary L...
The Journal of Chemical Physics. 158 (2023) 5 - p. , 2023

Link: https://doi.org/10.1063/..

5

Approximating large-basis coupled-cluster theory vibrationa..:

Nelson, Philip M. ; Glick, Zachary L. ; Sherrill, C. David
The Journal of Chemical Physics. 159 (2023) 9 - p. , 2023

Link: https://doi.org/10.1063/..

6

2021 JCP Emerging Investigator Special Collection:

Ceriotti, Michele ; Jensen, Lasse ; Manolopoulos, David E....
The Journal of Chemical Physics. 158 (2023) 6 - p. , 2023

Link: https://doi.org/10.1063/..

7

High-Order Quantum-Mechanical Analysis of Hydrogen Bonding ..:

Kumawat, Rameshwar L. ; Sherrill, C. David
Journal of Chemical Information and Modeling. 63 (2023) 10 - p. 3150-3157 , 2023

Link: https://doi.org/10.1021/..

8

A quantum chemical interaction energy dataset for accuratel..:

Spronk, Steven A. ; Glick, Zachary L. ; Metcalf, Derek P...
Scientific Data. 10 (2023) 1 - p. , 2023

Link: https://doi.org/10.1038/..

9

Benchmark coupled-cluster lattice energy of crystalline ben..:

Borca, Carlos H. ; Glick, Zachary L. ; Metcalf, Derek P...
The Journal of Chemical Physics. 158 (2023) 23 - p. , 2023

Link: https://doi.org/10.1063/..

10

Assessment of three-body dispersion models against coupled-..:

Xie, Yi ; Glick, Zachary L. ; Sherrill, C. David
The Journal of Chemical Physics. 158 (2023) 9 - p. , 2023

Link: https://doi.org/10.1063/..

11

A nonconjugated radical polymer with stable red luminescenc..:

Wang, Zhaoyu ; Zou, Xinhui ; Xie, Yi...
Materials Horizons. 9 (2022) 10 - p. 2564-2571 , 2022

Link: https://doi.org/10.1039/..

12

Implementation of symmetry-adapted perturbation theory base..:

Xie, Yi ; Smith, Daniel G. A. ; Sherrill, C. David
The Journal of Chemical Physics. 157 (2022) 2 - p. , 2022

Link: https://doi.org/10.1063/..

13

The influence of a solvent environment on direct non-covale..:

Sirianni, Dominic A. ; Zhu, Xiao ; Sitkoff, Doree F...
The Journal of Chemical Physics. 156 (2022) 19 - p. , 2022

Link: https://doi.org/10.1063/..

14

Range-dependence of two-body intermolecular interactions an..:

Metcalf, Derek P. ; Smith, Andrew ; Glick, Zachary L..
The Journal of Chemical Physics. 157 (2022) 8 - p. , 2022

Link: https://doi.org/10.1063/..

15

Chemical physics software:

Sherrill, C. David ; Manolopoulos, David E. ; Martínez, Todd J...
The Journal of Chemical Physics. 155 (2021) 1 - p. , 2021

Link: https://doi.org/10.1063/..