Johnson ER - Search Results

1

Clusters in Liquid Fatty Acids: Structure and Role in Nucleation.

Noël JA, LeBlanc LM, Patterson DS, Kreplak L, Fleischauer MD, Johnson ER, White MA. Noël JA, et al. Among authors: johnson er. J Phys Chem B. 2019 Aug 15;123(32):7043-7054. doi: 10.1021/acs.jpcb.9b05017. Epub 2019 Aug 1. J Phys Chem B. 2019. PMID: 31322886

2

Kinetics of the addition of olefins to Si-centered radicals: the critical role of dispersion interactions revealed by theory and experiment.

Johnson ER, Clarkin OJ, Dale SG, DiLabio GA. Johnson ER, et al. J Phys Chem A. 2015 Jun 4;119(22):5883-8. doi: 10.1021/acs.jpca.5b03251. Epub 2015 May 22. J Phys Chem A. 2015. PMID: 25950108

3

A computational exploration of the crystal energy and charge-carrier mobility landscapes of the chiral [6]helicene molecule.

Rice B, LeBlanc LM, Otero-de-la-Roza A, Fuchter MJ, Johnson ER, Nelson J, Jelfs KE. Rice B, et al. Among authors: johnson er. Nanoscale. 2018 Jan 25;10(4):1865-1876. doi: 10.1039/c7nr08890f. Nanoscale. 2018. PMID: 29313040 Free article.

4

Composite and Low-Cost Approaches for Molecular Crystal Structure Prediction.

LeBlanc LM, Otero-de-la-Roza A, Johnson ER. LeBlanc LM, et al. Among authors: johnson er. J Chem Theory Comput. 2018 Apr 10;14(4):2265-2276. doi: 10.1021/acs.jctc.7b01179. Epub 2018 Mar 8. J Chem Theory Comput. 2018. PMID: 29498837

5

Correction: A computational exploration of the crystal energy and charge-carrier mobility landscapes of the chiral [6]helicene molecule.

Rice B , LeBlanc LM , Otero-de-la-Roza A , Fuchter MJ , Johnson ER , Nelson J , Jelfs KE . Rice B , et al. Among authors: johnson er. Nanoscale. 2018 May 17;10(19):9410. doi: 10.1039/c8nr90093k. Nanoscale. 2018. PMID: 29722420

6

Pervasive Delocalisation Error Causes Spurious Proton Transfer in Organic Acid-Base Co-Crystals.

LeBlanc LM, Dale SG, Taylor CR, Becke AD, Day GM, Johnson ER. LeBlanc LM, et al. Among authors: johnson er. Angew Chem Int Ed Engl. 2018 Nov 5;57(45):14906-14910. doi: 10.1002/anie.201809381. Epub 2018 Oct 9. Angew Chem Int Ed Engl. 2018. PMID: 30248221

7

Non-Covalent Interactions in Molecular Crystals: Exploring the Accuracy of the Exchange-Hole Dipole Moment Model with Local Orbitals.

LeBlanc LM, Weatherby JA, Otero-de-la-Roza A, Johnson ER. LeBlanc LM, et al. Among authors: johnson er. J Chem Theory Comput. 2018 Nov 13;14(11):5715-5724. doi: 10.1021/acs.jctc.8b00797. Epub 2018 Oct 23. J Chem Theory Comput. 2018. PMID: 30351005

8

Dispersion XDM with Hybrid Functionals: Delocalization Error and Halogen Bonding in Molecular Crystals.

Otero-de-la-Roza A, LeBlanc LM, Johnson ER. Otero-de-la-Roza A, et al. Among authors: johnson er. J Chem Theory Comput. 2019 Sep 10;15(9):4933-4944. doi: 10.1021/acs.jctc.9b00550. Epub 2019 Aug 16. J Chem Theory Comput. 2019. PMID: 31369256

9

Asymptotic Pairwise Dispersion Corrections Can Describe Layered Materials Accurately.

Otero-de-la-Roza A, LeBlanc LM, Johnson ER. Otero-de-la-Roza A, et al. Among authors: johnson er. J Phys Chem Lett. 2020 Mar 19;11(6):2298-2302. doi: 10.1021/acs.jpclett.0c00348. Epub 2020 Mar 9. J Phys Chem Lett. 2020. PMID: 32118447

10

What is "many-body" dispersion and should I worry about it?

Otero-de-la-Roza A, LeBlanc LM, Johnson ER. Otero-de-la-Roza A, et al. Among authors: johnson er. Phys Chem Chem Phys. 2020 Apr 29;22(16):8266-8276. doi: 10.1039/d0cp01213k. Phys Chem Chem Phys. 2020. PMID: 32285886

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