| Year |
Citation |
Score |
| 2022 |
Wade J, Salerno F, Kilbride RC, Kim DK, Schmidt JA, Smith JA, LeBlanc LM, Wolpert EH, Adeleke AA, Johnson ER, Nelson J, Mori T, Jelfs KE, Heutz S, Fuchter MJ. Controlling anisotropic properties by manipulating the orientation of chiral small molecules. Nature Chemistry. PMID 36302869 DOI: 10.1038/s41557-022-01044-6 |
0.496 |
|
| 2021 |
Gale JD, LeBlanc LM, Spackman PR, Silvestri A, Raiteri P. A Universal Force Field for Materials, Periodic GFN-FF: Implementation and Examination. Journal of Chemical Theory and Computation. PMID 34735764 DOI: 10.1021/acs.jctc.1c00832 |
0.666 |
|
| 2020 |
Otero-de-la-Roza A, LeBlanc LM, Johnson ER. What is "many-body" dispersion and should I worry about it? Physical Chemistry Chemical Physics : Pccp. PMID 32285886 DOI: 10.1039/D0Cp01213K |
0.556 |
|
| 2020 |
Otero-de-la-Roza A, LeBlanc LM, Johnson ER. Asymptotic Pairwise Dispersion Corrections Can Describe Layered Materials Accurately. The Journal of Physical Chemistry Letters. PMID 32118447 DOI: 10.1021/Acs.Jpclett.0C00348 |
0.555 |
|
| 2019 |
Otero-de-la-Roza A, LeBlanc LM, Johnson ER. Dispersion XDM with Hybrid Functionals: Delocalization Error and Halogen Bonding in Molecular Crystals. Journal of Chemical Theory and Computation. PMID 31369256 DOI: 10.1021/Acs.Jctc.9B00550 |
0.654 |
|
| 2019 |
Noel JA, LeBlanc LM, Patterson DS, Kreplak L, Fleischauer MD, Johnson ER, White MA. Clusters in Liquid Fatty Acids: Structure and Role in Nucleation. The Journal of Physical Chemistry. B. PMID 31322886 DOI: 10.1021/Acs.Jpcb.9B05017 |
0.556 |
|
| 2019 |
LeBlanc LM, Johnson ER. Crystal-energy landscapes of active pharmaceutical ingredients using composite approaches Crystengcomm. 21: 5995-6009. DOI: 10.1039/C9Ce00895K |
0.603 |
|
| 2018 |
LeBlanc LM, Weatherby JA, Otero-de-la-Roza A, Johnson ER. Non-Covalent Interactions in Molecular Crystals: Exploring the Accuracy of the Exchange-Hole Dipole Moment Model with Local Orbitals. Journal of Chemical Theory and Computation. PMID 30351005 DOI: 10.1021/Acs.Jctc.8B00797 |
0.625 |
|
| 2018 |
LeBlanc LM, Dale SG, Taylor CR, Becke AD, Day GM, Johnson ER. Pervasive Delocalisation Error Causes Spurious Proton Transfer in Organic Acid-Base Co-Crystals. Angewandte Chemie (International Ed. in English). PMID 30248221 DOI: 10.1002/Anie.201809381 |
0.647 |
|
| 2018 |
Rice B, LeBlanc LM, Otero-de-la-Roza A, Fuchter MJ, Johnson ER, Nelson J, Jelfs KE. Correction: A computational exploration of the crystal energy and charge-carrier mobility landscapes of the chiral [6]helicene molecule. Nanoscale. PMID 29722420 DOI: 10.1039/c8nr90093k |
0.571 |
|
| 2018 |
LeBlanc LM, Otero-de-la-Roza A, Johnson ER. Composite and Low-Cost Approaches for Molecular Crystal Structure Prediction. Journal of Chemical Theory and Computation. PMID 29498837 DOI: 10.1021/Acs.Jctc.7B01179 |
0.657 |
|
| 2018 |
Rice B, LeBlanc LM, Otero-de-la-Roza A, Fuchter MJ, Johnson ER, Nelson J, Jelfs KE. A computational exploration of the crystal energy and charge-carrier mobility landscapes of the chiral [6]helicene molecule. Nanoscale. PMID 29313040 DOI: 10.1039/C7Nr08890F |
0.617 |
|
| 2016 |
LeBlanc LM, Otero-de-la-Roza A, Johnson ER. Evaluation of Shear-Slip Transitions in Crystalline Aspirin by Density-Functional Theory Crystal Growth & Design. 16: 6867-6873. DOI: 10.1021/Acs.Cgd.6B01038 |
0.551 |
|
| 2015 |
LeBlanc LM, Boyd RJ, Burnell DJ. Density Functional Theory Study of BF3-Mediated Additions of Enols and [(Trimethylsilyl)oxy]alkenes to an Oxyallyl Cation: Homologous Mukaiyama Reactions. The Journal of Physical Chemistry. A. 119: 6714-22. PMID 26035071 DOI: 10.1021/Acs.Jpca.5B03003 |
0.346 |
|
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