E-LIB Suche - Ergebnisse für: Burns, Lori

1

Roadmap on methods and software for electronic structure ba..:

Blum, Volker ; Asahi, Ryoji ; Autschbach, Jochen...
Electronic Structure. , 2024

Link: https://doi.org/10.1088/..

2

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/..

3

Optimized damping parameters for empirical dispersion corre..:

Schriber, Jeffrey B. ; Sirianni, Dominic A. ; Smith, Daniel G. A....
The Journal of Chemical Physics. 154 (2021) 23 - p. , 2021

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

4

PSI4 1.4: Open-source software for high-throughput quantum ..:

Smith, Daniel G. A. ; Burns, Lori A. ; Simmonett, Andrew C....
The Journal of Chemical Physics. 152 (2020) 18 - p. , 2020

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

5

Efficient and automated computation of accurate molecular g..:

Warden, Constance E. ; Smith, Daniel G. A. ; Burns, Lori A...
The Journal of Chemical Physics. 152 (2020) 12 - p. , 2020

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

6

The MolSSI QCArchive project: An open‐source platform to co..:

Smith, Daniel G. A. ; Altarawy, Doaa ; Burns, Lori A....
WIREs Computational Molecular Science. 11 (2020) 2 - p. , 2020

Link: https://doi.org/10.1002/..

7

The Bloomsbury handbook of popular music video analysis

Bloomsbury Handbooks Series

Burns, Lori ; Hawkins, Stan , 2019

Link: https://search.ebscohost..

8

Python implementation of the restrained electrostatic poten..:

Alenaizan, Asem ; Burns, Lori A. ; Sherrill, C. David
International Journal of Quantum Chemistry. 120 (2019) 2 - p. , 2019

Link: https://doi.org/10.1002/..

9

CrystaLattE: Automated computation of lattice energies of o..:

Borca, Carlos H. ; Bakr, Brandon W. ; Burns, Lori A..
The Journal of Chemical Physics. 151 (2019) 14 - p. , 2019

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

10

Psi4NumPy: An Interactive Quantum Chemistry Programming Env..:

Smith, Daniel G. A. ; Burns, Lori A. ; Sirianni, Dominic A....
Journal of Chemical Theory and Computation. 14 (2018) 7 - p. 3504-3511 , 2018

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

11

Race, gender, and theBillboardTop 40 charts between 1997 an..:

Lafrance, Marc ; Scheibling, Casey ; Burns, Lori.
Popular Music and Society. 41 (2017) 5 - p. 522-538 , 2017

Link: https://doi.org/10.1080/..

12

Psi4 1.1: An Open-Source Electronic Structure Program Empha..:

Parrish, Robert M. ; Burns, Lori A. ; Smith, Daniel G. A....
Journal of Chemical Theory and Computation. 13 (2017) 7 - p. 3185-3197 , 2017

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

13

The BioFragment Database (BFDb): An open-data platform for ..:

Burns, Lori A. ; Faver, John C. ; Zheng, Zheng...
The Journal of Chemical Physics. 147 (2017) 16 - p. , 2017

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

14

Revised Damping Parameters for the D3 Dispersion Correction..:

Smith, Daniel G. A. ; Burns, Lori A. ; Patkowski, Konrad.
The Journal of Physical Chemistry Letters. 7 (2016) 12 - p. 2197-2203 , 2016

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

15

Comparison of Explicitly Correlated Methods for Computing H..:

Sirianni, Dominic A. ; Burns, Lori A. ; Sherrill, C. David
Journal of Chemical Theory and Computation. 13 (2016) 1 - p. 86-99 , 2016

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