127 related articles for article (PubMed ID: 37218696)
1. Many-body dispersion in model systems and the sensitivity of self-consistent screening.
Bryenton KR; Johnson ER
J Chem Phys; 2023 May; 158(20):. PubMed ID: 37218696
[TBL] [Abstract][Full Text] [Related]
2. Many-body dispersion interactions from the exchange-hole dipole moment model.
Otero-de-la-Roza A; Johnson ER
J Chem Phys; 2013 Feb; 138(5):054103. PubMed ID: 23406094
[TBL] [Abstract][Full Text] [Related]
3. Comparison of Density-Functional Theory Dispersion Corrections for the DES15K Database.
Nickerson CJ; Bryenton KR; Price AJA; Johnson ER
J Phys Chem A; 2023 Oct; 127(41):8712-8722. PubMed ID: 37793049
[TBL] [Abstract][Full Text] [Related]
4. Evaluating Force-Field London Dispersion Coefficients Using the Exchange-Hole Dipole Moment Model.
Mohebifar M; Johnson ER; Rowley CN
J Chem Theory Comput; 2017 Dec; 13(12):6146-6157. PubMed ID: 29149556
[TBL] [Abstract][Full Text] [Related]
5. What is "many-body" dispersion and should I worry about it?
Otero-de-la-Roza A; LeBlanc LM; Johnson ER
Phys Chem Chem Phys; 2020 Apr; 22(16):8266-8276. PubMed ID: 32285886
[TBL] [Abstract][Full Text] [Related]
6. Evaluating the London Dispersion Coefficients of Protein Force Fields Using the Exchange-Hole Dipole Moment Model.
Walters ET; Mohebifar M; Johnson ER; Rowley CN
J Phys Chem B; 2018 Jul; 122(26):6690-6701. PubMed ID: 29877703
[TBL] [Abstract][Full Text] [Related]
7. Predicting Energetics of Supramolecular Systems Using the XDM Dispersion Model.
Otero-de-la-Roza A; Johnson ER
J Chem Theory Comput; 2015 Sep; 11(9):4033-40. PubMed ID: 26575899
[TBL] [Abstract][Full Text] [Related]
8. Surface Adsorption from the Exchange-Hole Dipole Moment Dispersion Model.
Christian MS; Otero-de-la-Roza A; Johnson ER
J Chem Theory Comput; 2016 Jul; 12(7):3305-15. PubMed ID: 27253340
[TBL] [Abstract][Full Text] [Related]
9. Non-covalent interactions and thermochemistry using XDM-corrected hybrid and range-separated hybrid density functionals.
Otero-de-la-Roza A; Johnson ER
J Chem Phys; 2013 May; 138(20):204109. PubMed ID: 23742456
[TBL] [Abstract][Full Text] [Related]
10. A generally applicable atomic-charge dependent London dispersion correction.
Caldeweyher E; Ehlert S; Hansen A; Neugebauer H; Spicher S; Bannwarth C; Grimme S
J Chem Phys; 2019 Apr; 150(15):154122. PubMed ID: 31005066
[TBL] [Abstract][Full Text] [Related]
11. Dependence of dispersion coefficients on atomic environment.
Johnson ER
J Chem Phys; 2011 Dec; 135(23):234109. PubMed ID: 22191866
[TBL] [Abstract][Full Text] [Related]
12. Minimizing density functional failures for non-covalent interactions beyond van der Waals complexes.
Corminboeuf C
Acc Chem Res; 2014 Nov; 47(11):3217-24. PubMed ID: 24655016
[TBL] [Abstract][Full Text] [Related]
13. Are dispersion corrections accurate outside equilibrium? A case study on benzene.
Gould T; Johnson ER; Tawfik SA
Beilstein J Org Chem; 2018; 14():1181-1191. PubMed ID: 29977385
[TBL] [Abstract][Full Text] [Related]
14. Organic crystal polymorphism: a benchmark for dispersion-corrected mean-field electronic structure methods.
Brandenburg JG; Grimme S
Acta Crystallogr B Struct Sci Cryst Eng Mater; 2016 Aug; 72(Pt 4):502-13. PubMed ID: 27484372
[TBL] [Abstract][Full Text] [Related]
15. Ab initio dispersion potentials based on physics-based functional forms with machine learning.
Villot C; Lao KU
J Chem Phys; 2024 May; 160(18):. PubMed ID: 38716842
[TBL] [Abstract][Full Text] [Related]
16. Performance of Dispersion-Inclusive Density Functional Theory Methods for Energetic Materials.
O'Connor D; Bier I; Hsieh YT; Marom N
J Chem Theory Comput; 2022 Jul; 18(7):4456-4471. PubMed ID: 35759249
[TBL] [Abstract][Full Text] [Related]
17. Understanding and Quantifying London Dispersion Effects in Organometallic Complexes.
Bursch M; Caldeweyher E; Hansen A; Neugebauer H; Ehlert S; Grimme S
Acc Chem Res; 2019 Jan; 52(1):258-266. PubMed ID: 30586286
[TBL] [Abstract][Full Text] [Related]
18. MBD + C: How to Incorporate Metallic Character into Atom-Based Dispersion Energy Schemes.
Dobson JF; Ambrosetti A
J Chem Theory Comput; 2023 Sep; 19(18):6434-6451. PubMed ID: 37695999
[TBL] [Abstract][Full Text] [Related]
19. A post-Hartree-Fock model of intermolecular interactions.
Johnson ER; Becke AD
J Chem Phys; 2005 Jul; 123(2):24101. PubMed ID: 16050735
[TBL] [Abstract][Full Text] [Related]
20. Analytical nuclear gradients for the range-separated many-body dispersion model of noncovalent interactions.
Blood-Forsythe MA; Markovich T; DiStasio RA; Car R; Aspuru-Guzik A
Chem Sci; 2016 Mar; 7(3):1712-1728. PubMed ID: 29899903
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]