| 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 |
0.671 |
|
| 2022 |
Teale AM, Helgaker T, Savin A, Adamo C, Aradi B, Arbuznikov AV, Ayers PW, Baerends EJ, Barone V, Calaminici P, Cancès E, Carter EA, Chattaraj PK, Chermette H, Ciofini I, ... ... Johnson ER, et al. DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science. Physical Chemistry Chemical Physics : Pccp. PMID 36269074 DOI: 10.1039/d2cp02827a |
0.695 |
|
| 2022 |
Weatherby JA, Rumson AF, Price AJA, Otero de la Roza A, Johnson ER. A density-functional benchmark of vibrational free-energy corrections for molecular crystal polymorphism. The Journal of Chemical Physics. 156: 114108. PMID 35317597 DOI: 10.1063/5.0083082 |
0.795 |
|
| 2021 |
Price AJA, Bryenton KR, Johnson ER. Requirements for an accurate dispersion-corrected density functional. The Journal of Chemical Physics. 154: 230902. PMID 34241263 DOI: 10.1063/5.0050993 |
0.337 |
|
| 2021 |
Christian MS, Johnson ER, Besmann TM. Interplay between London Dispersion, Hubbard , and Metastable States for Uranium Compounds. The Journal of Physical Chemistry. A. PMID 33764761 DOI: 10.1021/acs.jpca.0c10533 |
0.73 |
|
| 2020 |
Sharma AN, Grandinetti L, Johnson ER, St Maurice M, Bearne SL. Potent Inhibition of Mandelate Racemase by Boronic Acids: Boron as a Mimic of a Carbon Acid Center. Biochemistry. PMID 32786399 DOI: 10.1021/Acs.Biochem.0C00478 |
0.304 |
|
| 2020 |
Otero-de-la-Roza A, Johnson ER. Application of XDM to ionic solids: The importance of dispersion for bulk moduli and crystal geometries. The Journal of Chemical Physics. 153: 054121. PMID 32770899 DOI: 10.1063/5.0015133 |
0.48 |
|
| 2020 |
MacMillan JWM, Marczenko KM, Johnson ER, Chitnis SS. Hydrostibination of alkynes: A radical mechanism. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 32706129 DOI: 10.1002/Chem.202003153 |
0.355 |
|
| 2020 |
Price AJ, Johnson ER. Theoretical investigation of amino-acid adsorption on hydroxylated quartz surfaces: dispersion can determine enantioselectivity. Physical Chemistry Chemical Physics : Pccp. PMID 32658226 DOI: 10.1039/D0Cp02827D |
0.772 |
|
| 2020 |
Feng X, Becke AD, Johnson ER. Computational modeling of piezochromism in molecular crystals. The Journal of Chemical Physics. 152: 234106. PMID 32571029 DOI: 10.1063/5.0011515 |
0.77 |
|
| 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 |
0.727 |
|
| 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 |
0.722 |
|
| 2019 |
Otero-de-la-Roza A, Johnson ER. Analysis of Density-Functional Errors for Noncovalent Interactions between Charged Molecules. The Journal of Physical Chemistry. A. PMID 31846333 DOI: 10.1021/Acs.Jpca.9B10257 |
0.487 |
|
| 2019 |
Awoonor-Williams E, Isley WC, Dale SG, Johnson ER, Yu H, Becke AD, Roux B, Rowley CN. Quantum Chemical Methods for Modeling Covalent Modification of Biological Thiols. Journal of Computational Chemistry. PMID 31512279 DOI: 10.1002/Jcc.26064 |
0.813 |
|
| 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 |
0.754 |
|
| 2019 |
Santamaría-Pérez D, Daisenberger D, Ruiz-Fuertes J, Marqueño T, Chulia-Jordan R, Muehle C, Jansen M, Rodriguez-Hernandez P, Muñoz A, Johnson ER, Otero-de-la-Roza A. Gold(i) sulfide: unusual bonding and an unexpected computational challenge in a simple solid. Chemical Science. 10: 6467-6475. PMID 31341598 DOI: 10.1039/C9Sc00371A |
0.387 |
|
| 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 |
0.682 |
|
| 2019 |
Vazirisereshk MR, Ye H, Ye Z, Otero-de-la-Roza A, Zhao MQ, Gao Z, Johnson ATC, Johnson ER, Carpick RW, Martini A. Origin of Nanoscale Friction Contrast between Supported Graphene, MoS, and a Graphene/MoS Heterostructure. Nano Letters. PMID 31267757 DOI: 10.1021/Acs.Nanolett.9B02035 |
0.302 |
|
| 2019 |
LeBlanc LM, Johnson ER. Crystal-energy landscapes of active pharmaceutical ingredients using composite approaches Crystengcomm. 21: 5995-6009. DOI: 10.1039/C9Ce00895K |
0.706 |
|
| 2018 |
Feng X, Becke AD, Johnson ER. Communication: Becke's virial exciton model gives accurate charge-transfer excitation energies. The Journal of Chemical Physics. 149: 231101. PMID 30579291 DOI: 10.1063/1.5078515 |
0.774 |
|
| 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 |
0.756 |
|
| 2018 |
Dale SG, Johnson ER. Theoretical Descriptors of Electrides. The Journal of Physical Chemistry. A. PMID 30339025 DOI: 10.1021/Acs.Jpca.8B08548 |
0.812 |
|
| 2018 |
Dale SG, Becke AD, Johnson ER. Density-functional description of alkalides: introducing the alkalide state. Physical Chemistry Chemical Physics : Pccp. PMID 30324211 DOI: 10.1039/C8Cp04014A |
0.803 |
|
| 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 |
0.796 |
|
| 2018 |
Otero-de-la-Roza A, Martín Pendás A, Johnson ER. Quantitative electron delocalization in solids from maximally localized Wannier functions. Journal of Chemical Theory and Computation. PMID 30067365 DOI: 10.1021/Acs.Jctc.8B00549 |
0.417 |
|
| 2018 |
Gould T, Johnson ER, Tawfik SA. Are dispersion corrections accurate outside equilibrium? A case study on benzene. Beilstein Journal of Organic Chemistry. 14: 1181-1191. PMID 29977385 DOI: 10.3762/Bjoc.14.99 |
0.43 |
|
| 2018 |
Becke AD, Dale SG, Johnson ER. Communication: Correct charge transfer in CT complexes from the Becke'05 density functional. The Journal of Chemical Physics. 148: 211101. PMID 29884028 DOI: 10.1063/1.5039742 |
0.803 |
|
| 2018 |
Walters E, Mohebifar M, Johnson ER, Rowley CN. Evaluating the London Dispersion Coefficients of Protein Force Fields Using the Exchange-Hole Dipole Moment Model. The Journal of Physical Chemistry. B. PMID 29877703 DOI: 10.1021/Acs.Jpcb.8B02814 |
0.338 |
|
| 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 |
0.691 |
|
| 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 |
0.754 |
|
| 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 |
0.744 |
|
| 2018 |
Feng X, Otero-de-la-Roza A, Johnson ER. The effect of electronic excitation on London dispersion Canadian Journal of Chemistry. 96: 730-737. DOI: 10.1139/Cjc-2017-0726 |
0.437 |
|
| 2018 |
Dale SG, Otero-de-la-Roza A, Johnson ER. Pressure-Induced Isostructural Antiferromagnetic–Ferromagnetic Transition in an Organic Electride The Journal of Physical Chemistry C. 122: 12742-12747. DOI: 10.1021/Acs.Jpcc.8B02125 |
0.78 |
|
| 2018 |
Christian MS, Johnson ER. Effect of a Metal Substrate on Interlayer Interactions in Bilayer Graphene The Journal of Physical Chemistry C. 122: 8910-8918. DOI: 10.1021/Acs.Jpcc.7B12743 |
0.616 |
|
| 2017 |
Mohebifar M, Johnson ER, Rowley CN. Evaluating Force-Field London Dispersion Coefficients Using the Exchange-Hole Dipole Moment Model. Journal of Chemical Theory and Computation. PMID 29149556 DOI: 10.1021/Acs.Jctc.7B00522 |
0.376 |
|
| 2017 |
Dale SG, Johnson ER, Becke AD. Interrogating the Becke'05 density functional for non-locality information. The Journal of Chemical Physics. 147: 154103. PMID 29055302 DOI: 10.1063/1.5000909 |
0.795 |
|
| 2017 |
Dale SG, Johnson ER. The ionic versus metallic nature of 2D electrides: a density-functional description. Physical Chemistry Chemical Physics : Pccp. PMID 28971195 DOI: 10.1039/C7Cp04825D |
0.814 |
|
| 2017 |
Whittleton SR, Otero-de-la-Roza A, Johnson ER. Exchange-hole dipole dispersion model for accurate energy ranking in molecular crystal structure prediction II: Non-planar molecules. Journal of Chemical Theory and Computation. PMID 28933853 DOI: 10.1021/Acs.Jctc.7B00715 |
0.815 |
|
| 2017 |
Yang Y, Rice B, Shi X, Brandt JR, Correa da Costa R, Hedley GJ, Smilgies DM, Frost JM, Samuel IDW, Otero-de-la-Roza A, Johnson ER, Jelfs KE, Nelson J, Campbell AJ, Fuchter MJ. Emergent Properties of an Organic Semiconductor Driven by its Molecular Chirality. Acs Nano. PMID 28696680 DOI: 10.1021/Acsnano.7B03540 |
0.327 |
|
| 2017 |
Johnson ER, Becke AD. Communication: DFT treatment of strong correlation in 3d transition-metal diatomics. The Journal of Chemical Physics. 146: 211105. PMID 28595421 DOI: 10.1063/1.4985084 |
0.779 |
|
| 2017 |
Dale SG, Johnson ER. Thermodynamic cycles of the alkali metal-ligand complexes central to electride formation. Physical Chemistry Chemical Physics : Pccp. PMID 28470297 DOI: 10.1039/C7Cp00882A |
0.782 |
|
| 2017 |
Christian MS, Otero-de-la-Roza A, Johnson ER. Adsorption of graphene to metal (111) surfaces using the exchange-hole dipole moment model Carbon. 124: 531-540. DOI: 10.1016/J.Carbon.2017.08.077 |
0.608 |
|
| 2017 |
Christian MS, Otero-de-la-Roza A, Johnson ER. Adsorption of graphene to nickel (111) using the exchange-hole dipole moment model Carbon. 118: 184-191. DOI: 10.1016/J.Carbon.2017.03.024 |
0.628 |
|
| 2016 |
Whittleton SR, Otero-de-la-Roza A, Johnson ER. The exchange-hole dipole dispersion model for accurate energy ranking in molecular crystal structure prediction. Journal of Chemical Theory and Computation. PMID 27977188 DOI: 10.1021/Acs.Jctc.6B00679 |
0.826 |
|
| 2016 |
Dale SG, Johnson ER. The explicit examination of the magnetic states of electrides. Physical Chemistry Chemical Physics : Pccp. 18: 27326-27335. PMID 27722311 DOI: 10.1039/C6Cp05345A |
0.807 |
|
| 2016 |
Christian MS, Otero-de-la-Roza A, Johnson ER. Surface Adsorption from the Exchange-Hole Dipole Moment Dispersion Model. Journal of Chemical Theory and Computation. PMID 27253340 DOI: 10.1021/Acs.Jctc.6B00222 |
0.691 |
|
| 2016 |
Otero-de-la-Roza A, DiLabio GA, Johnson ER. Exchange-Correlation Effects for Noncovalent Interactions in Density Functional Theory. Journal of Chemical Theory and Computation. 12: 3160-75. PMID 27243962 DOI: 10.1021/Acs.Jctc.6B00298 |
0.75 |
|
| 2016 |
Dizon JB, Johnson ER. van der Waals potential energy surfaces from the exchange-hole dipole moment dispersion model Canadian Journal of Chemistry. 94: 1049-1056. DOI: 10.1139/Cjc-2016-0215 |
0.481 |
|
| 2016 |
Otero-de-la-Roza A, Hein JE, Johnson ER. Reevaluating the Stability and Prevalence of Conglomerates: Implications for Preferential Crystallization Crystal Growth & Design. 16: 6055-6059. DOI: 10.1021/Acs.Cgd.6B01088 |
0.321 |
|
| 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 |
0.714 |
|
| 2015 |
Otero-de-la-Roza A, Johnson ER. Predicting Energetics of Supramolecular Systems Using the XDM Dispersion Model. Journal of Chemical Theory and Computation. 11: 4033-40. PMID 26575899 DOI: 10.1021/Acs.Jctc.5B00044 |
0.432 |
|
| 2015 |
Berryman VE, Boyd RJ, Johnson ER. Balancing Exchange Mixing in Density-Functional Approximations for Iron Porphyrin. Journal of Chemical Theory and Computation. 11: 3022-8. PMID 26575739 DOI: 10.1021/Acs.Jctc.5B00203 |
0.586 |
|
| 2015 |
Dale SG, Johnson ER. Counterintuitive electron localisation from density-functional theory with polarisable solvent models. The Journal of Chemical Physics. 143: 184112. PMID 26567651 DOI: 10.1063/1.4935177 |
0.82 |
|
| 2015 |
Gao H, Otero-de-la-Roza A, Gu J, Stone D, Aouadi S, Johnson E, Martini A. (Ag,Cu)-Ta-O ternaries as high-temperature solid-lubricant coatings. Acs Applied Materials & Interfaces. PMID 26106877 DOI: 10.1021/Acsami.5B03543 |
0.318 |
|
| 2015 |
Whittleton SR, Sosa Vazquez XA, Isborn CM, Johnson ER. Density-functional errors in ionization potential with increasing system size. The Journal of Chemical Physics. 142: 184106. PMID 25978882 DOI: 10.1063/1.4920947 |
0.823 |
|
| 2015 |
Johnson ER, Clarkin OJ, Dale SG, DiLabio GA. Kinetics of the addition of olefins to Si-centered radicals: the critical role of dispersion interactions revealed by theory and experiment. The Journal of Physical Chemistry. A. 119: 5883-8. PMID 25950108 DOI: 10.1021/Acs.Jpca.5B03251 |
0.803 |
|
| 2015 |
Ye Z, Otero-de-la-Roza A, Johnson ER, Martini A. Oscillatory motion in layered materials: graphene, boron nitride, and molybdenum disulfide. Nanotechnology. 26: 165701. PMID 25815685 DOI: 10.1088/0957-4484/26/16/165701 |
0.324 |
|
| 2015 |
Warehime M, Johnson ER, K?os J. New XDM-corrected potential energy surfaces for Ar-NO(X(2)Π): a comparison with CCSD(T) calculations and experiments. The Journal of Chemical Physics. 142: 024302. PMID 25591348 DOI: 10.1063/1.4905252 |
0.375 |
|
| 2015 |
Christian MS, Whittleton SR, Otero-de-la-Roza A, Johnson ER. Chemical bonding and surface interactions in Bi2Se3 and Bi4Se3 Computational and Theoretical Chemistry. 1053: 238-244. DOI: 10.1016/J.Comptc.2014.09.023 |
0.782 |
|
| 2014 |
Otero-de-la-Roza A, Johnson ER, DiLabio GA. Halogen Bonding from Dispersion-Corrected Density-Functional Theory: The Role of Delocalization Error. Journal of Chemical Theory and Computation. 10: 5436-47. PMID 26583227 DOI: 10.1021/Ct500899H |
0.768 |
|
| 2014 |
Johnson ER. Local-hybrid functional based on the correlation length. The Journal of Chemical Physics. 141: 124120. PMID 25273425 DOI: 10.1063/1.4896302 |
0.361 |
|
| 2014 |
Otero-de-la-Roza A, Cao BH, Price IK, Hein JE, Johnson ER. Predicting the relative solubilities of racemic and enantiopure crystals by density-functional theory. Angewandte Chemie (International Ed. in English). 53: 7879-82. PMID 24917528 DOI: 10.1002/Anie.201403541 |
0.447 |
|
| 2014 |
Otero-de-la-Roza A, Mallory JD, Johnson ER. Metallophilic interactions from dispersion-corrected density-functional theory. The Journal of Chemical Physics. 140: 18A504. PMID 24832312 DOI: 10.1063/1.4862896 |
0.422 |
|
| 2014 |
Dale SG, Otero-de-la-Roza A, Johnson ER. Density-functional description of electrides. Physical Chemistry Chemical Physics : Pccp. 16: 14584-93. PMID 24724157 DOI: 10.1039/C3Cp55533J |
0.819 |
|
| 2014 |
Otero-De-La-Roza A, Mallory JD, Johnson ER. Metallophilic interactions from dispersion-corrected density-functional theory Journal of Chemical Physics. 140. DOI: 10.1063/1.4862896 |
0.307 |
|
| 2014 |
Gao H, Otero-de-la-Roza A, Aouadi SM, Martini A, Johnson ER. Chemical Basis of the Tribological Properties of AgTaO3 Crystal Surfaces The Journal of Physical Chemistry C. 118: 17577-17584. DOI: 10.1021/Jp503673K |
0.343 |
|
| 2014 |
Otero-de-la-Roza A, Johnson ER, Luaña V. Critic2: A program for real-space analysis of quantum chemical interactions in solids Computer Physics Communications. 185: 1007-1018. DOI: 10.1016/J.Cpc.2013.10.026 |
0.32 |
|
| 2013 |
Johnson ER, Otero-de-la-Roza A, Dale SG, DiLabio GA. Efficient basis sets for non-covalent interactions in XDM-corrected density-functional theory. The Journal of Chemical Physics. 139: 214109. PMID 24320366 DOI: 10.1063/1.4832325 |
0.801 |
|
| 2013 |
Johnson ER, Otero-de-la-Roza A, Dale SG. Extreme density-driven delocalization error for a model solvated-electron system. The Journal of Chemical Physics. 139: 184116. PMID 24320263 DOI: 10.1063/1.4829642 |
0.823 |
|
| 2013 |
Shen X, Viney C, Johnson ER, Wang C, Lu JQ. Large negative thermal expansion of a polymer driven by a submolecular conformational change. Nature Chemistry. 5: 1035-41. PMID 24256868 DOI: 10.1038/Nchem.1780 |
0.314 |
|
| 2013 |
Johnson ER. A density functional for strong correlation in atoms. The Journal of Chemical Physics. 139: 074110. PMID 23968075 DOI: 10.1063/1.4818454 |
0.399 |
|
| 2013 |
Jin Y, Johnson ER, Hu X, Yang W, Hu H. Contributions of Pauli repulsions to the energetics and physical properties computed in QM/MM methods. Journal of Computational Chemistry. 34: 2380-8. PMID 23922165 DOI: 10.1002/Jcc.23401 |
0.585 |
|
| 2013 |
DiLabio GA, Johnson ER, Otero-de-la-Roza A. Performance of conventional and dispersion-corrected density-functional theory methods for hydrogen bonding interaction energies. Physical Chemistry Chemical Physics : Pccp. 15: 12821-8. PMID 23803877 DOI: 10.1039/C3Cp51559A |
0.751 |
|
| 2013 |
Otero-de-la-Roza A, Johnson ER. Non-covalent interactions and thermochemistry using XDM-corrected hybrid and range-separated hybrid density functionals. The Journal of Chemical Physics. 138: 204109. PMID 23742456 DOI: 10.1063/1.4807330 |
0.422 |
|
| 2013 |
Otero-de-la-Roza A, Johnson ER. Many-body dispersion interactions from the exchange-hole dipole moment model. The Journal of Chemical Physics. 138: 054103. PMID 23406094 DOI: 10.1063/1.4789421 |
0.363 |
|
| 2013 |
Johnson ER, Salamone M, Bietti M, DiLabio GA. Modeling noncovalent radical-molecule interactions using conventional density-functional theory: beware erroneous charge transfer. The Journal of Physical Chemistry. A. 117: 947-52. PMID 23323943 DOI: 10.1021/Jp3084309 |
0.736 |
|
| 2013 |
Gao H, Otero-de-la-Roza A, Aouadi SM, Johnson ER, Martini A. An empirical model for silver tantalate Modelling and Simulation in Materials Science and Engineering. 21: 055002. DOI: 10.1088/0965-0393/21/5/055002 |
0.387 |
|
| 2013 |
Ye Z, Otero-de-la-Roza A, Johnson ER, Martini A. Effect of tip shape on atomic-friction at graphite step edges Applied Physics Letters. 103: 081601. DOI: 10.1063/1.4818258 |
0.339 |
|
| 2013 |
Isborn CM, Tang C, Martini A, Johnson ER, Otero-De-La-Roza A, Tung VC. Carbon nanotube chirality determines efficiency of electron transfer to fullerene in all-carbon photovoltaics Journal of Physical Chemistry Letters. 4: 2914-2918. DOI: 10.1021/Jz401369S |
0.352 |
|
| 2013 |
Johnson ER, Salamone M, Bietti M, Dilabio GA. Modeling noncovalent radical-molecule interactions using conventional density-functional theory: Beware erroneous charge transfer Journal of Physical Chemistry A. 117: 947-952. DOI: 10.1021/jp3084309 |
0.717 |
|
| 2012 |
Johnson ER, Otero-de-la-Roza A. Adsorption of Organic Molecules on Kaolinite from the Exchange-Hole Dipole Moment Dispersion Model. Journal of Chemical Theory and Computation. 8: 5124-31. PMID 26593201 DOI: 10.1021/Ct3006375 |
0.402 |
|
| 2012 |
Johnson ER, Contreras-García J, Yang W. Density-Functional Errors in Alkanes: A Real-Space Perspective. Journal of Chemical Theory and Computation. 8: 2676-81. PMID 26592113 DOI: 10.1021/Ct300412G |
0.744 |
|
| 2012 |
Zheng X, Liu M, Johnson ER, Contreras-García J, Yang W. Delocalization error of density-functional approximations: a distinct manifestation in hydrogen molecular chains. The Journal of Chemical Physics. 137: 214106. PMID 23231216 DOI: 10.1063/1.4768673 |
0.719 |
|
| 2012 |
Peng D, Hu X, Devarajan D, Ess DH, Johnson ER, Yang W. Variational fractional-spin density-functional theory for diradicals. The Journal of Chemical Physics. 137: 114112. PMID 22998254 DOI: 10.1063/1.4749242 |
0.57 |
|
| 2012 |
Otero-de-la-Roza A, Johnson ER. A benchmark for non-covalent interactions in solids. The Journal of Chemical Physics. 137: 054103. PMID 22894328 DOI: 10.1063/1.4738961 |
0.466 |
|
| 2012 |
Otero-de-la-Roza A, Johnson ER, Contreras-García J. Revealing non-covalent interactions in solids: NCI plots revisited. Physical Chemistry Chemical Physics : Pccp. 14: 12165-72. PMID 22850808 DOI: 10.1039/C2Cp41395G |
0.673 |
|
| 2012 |
Otero-de-la-Roza A, Johnson ER. Van der Waals interactions in solids using the exchange-hole dipole moment model. The Journal of Chemical Physics. 136: 174109. PMID 22583212 DOI: 10.1063/1.4705760 |
0.483 |
|
| 2011 |
Johnson ER. Dependence of dispersion coefficients on atomic environment. The Journal of Chemical Physics. 135: 234109. PMID 22191866 DOI: 10.1063/1.3670015 |
0.456 |
|
| 2011 |
Johnson ER, Contreras-García J. Communication: a density functional with accurate fractional-charge and fractional-spin behaviour for s-electrons. The Journal of Chemical Physics. 135: 081103. PMID 21895149 DOI: 10.1063/1.3630117 |
0.672 |
|
| 2011 |
Contreras-García J, Yang W, Johnson ER. Analysis of hydrogen-bond interaction potentials from the electron density: integration of noncovalent interaction regions. The Journal of Physical Chemistry. A. 115: 12983-90. PMID 21786796 DOI: 10.1021/Jp204278K |
0.721 |
|
| 2011 |
Contreras-García J, Johnson ER, Keinan S, Chaudret R, Piquemal JP, Beratan DN, Yang W. NCIPLOT: a program for plotting non-covalent interaction regions. Journal of Chemical Theory and Computation. 7: 625-632. PMID 21516178 DOI: 10.1021/Ct100641A |
0.805 |
|
| 2011 |
Ess DH, Johnson ER, Hu X, Yang W. Singlet-triplet energy gaps for diradicals from fractional-spin density-functional theory. The Journal of Physical Chemistry. A. 115: 76-83. PMID 21141988 DOI: 10.1021/Jp109280Y |
0.575 |
|
| 2010 |
Johnson ER, Yang W, Davidson ER. Spin-state splittings, highest-occupied-molecular-orbital and lowest-unoccupied-molecular-orbital energies, and chemical hardness. The Journal of Chemical Physics. 133: 164107. PMID 21033775 DOI: 10.1063/1.3497190 |
0.569 |
|
| 2010 |
Johnson ER, Keinan S, Mori-Sánchez P, Contreras-García J, Cohen AJ, Yang W. Revealing noncovalent interactions. Journal of the American Chemical Society. 132: 6498-506. PMID 20394428 DOI: 10.1021/Ja100936W |
0.713 |
|
| 2009 |
Johnson ER, Dilabio GA. Radicals as hydrogen bond donors and acceptors. Interdisciplinary Sciences, Computational Life Sciences. 1: 133-40. PMID 20640827 DOI: 10.1007/S12539-009-0024-3 |
0.729 |
|
| 2009 |
Johnson ER, Becke AD, Sherrill CD, DiLabio GA. Oscillations in meta-generalized-gradient approximation potential energy surfaces for dispersion-bound complexes. The Journal of Chemical Physics. 131: 034111. PMID 19624185 DOI: 10.1063/1.3177061 |
0.811 |
|
| 2009 |
Johnson ER, Becke AD. Tests of an exact-exchange-based density-functional theory on transition-metal complexes Canadian Journal of Chemistry. 87: 1369-1373. DOI: 10.1139/V09-102 |
0.768 |
|
| 2009 |
Dilabio GA, Johnson ER, Pitters J. Pentacene binds strongly to hydrogen-terminated silicon surfaces via dispersion interactions Journal of Physical Chemistry C. 113: 9969-9973. DOI: 10.1021/Jp902126B |
0.73 |
|
| 2009 |
Johnson ER, DiLabio GA. Theoretical study of dispersion binding of hydrocarbon molecules to hydrogen-terminated silicon(100)-2x 1 Journal of Physical Chemistry C. 113: 5681-5689. DOI: 10.1021/Jp8105056 |
0.738 |
|
| 2009 |
Johnson ER, DiLabio GA. Convergence of calculated nuclear magnetic resonance chemical shifts in a protein with respect to quantum mechanical model size Journal of Molecular Structure: Theochem. 898: 56-61. DOI: 10.1016/J.Theochem.2008.07.042 |
0.706 |
|
| 2009 |
Johnson ER, Mackie ID, DiLabio GA. Dispersion interactions in density-functional theory Journal of Physical Organic Chemistry. 22: 1127-1135. DOI: 10.1002/Poc.1606 |
0.751 |
|
| 2008 |
Johnson ER, Mori-Sánchez P, Cohen AJ, Yang W. Delocalization errors in density functionals and implications for main-group thermochemistry. The Journal of Chemical Physics. 129: 204112. PMID 19045857 DOI: 10.1063/1.3021474 |
0.583 |
|
| 2008 |
Johnson ER, Becke AD. A unified density-functional treatment of dynamical, nondynamical, and dispersion correlations. II. Thermochemical and kinetic benchmarks. The Journal of Chemical Physics. 128: 124105. PMID 18376906 DOI: 10.1063/1.2894878 |
0.795 |
|
| 2007 |
Becke AD, Johnson ER. Exchange-hole dipole moment and the dispersion interaction revisited. The Journal of Chemical Physics. 127: 154108. PMID 17949133 DOI: 10.1063/1.2795701 |
0.77 |
|
| 2007 |
Becke AD, Johnson ER. A unified density-functional treatment of dynamical, nondynamical, and dispersion correlations. The Journal of Chemical Physics. 127: 124108. PMID 17902894 DOI: 10.1063/1.2768530 |
0.799 |
|
| 2007 |
Johnson ER, Dickson RM, Becke AD. Density functionals and transition-metal atoms. The Journal of Chemical Physics. 126: 184104. PMID 17508789 DOI: 10.1063/1.2723118 |
0.783 |
|
| 2007 |
DiLabio GA, Johnson ER. Lone pair-pi and pi-pi interactions play an important role in proton-coupled electron transfer reactions. Journal of the American Chemical Society. 129: 6199-203. PMID 17444643 DOI: 10.1021/Ja068090G |
0.713 |
|
| 2007 |
Johnson ER, McKay DJJ, DiLabio GA. Hydrogen-bond strengths in large complexes: Efficient calculations using locally dense basis sets Chemical Physics Letters. 435: 201-207. DOI: 10.1016/J.Cplett.2006.12.080 |
0.72 |
|
| 2006 |
Becke AD, Johnson ER. A simple effective potential for exchange. The Journal of Chemical Physics. 124: 221101. PMID 16784253 DOI: 10.1063/1.2213970 |
0.769 |
|
| 2006 |
Johnson ER, Becke AD. A post-Hartree-Fock model of intermolecular interactions: inclusion of higher-order corrections. The Journal of Chemical Physics. 124: 174104. PMID 16689564 DOI: 10.1063/1.2190220 |
0.782 |
|
| 2006 |
Becke AD, Johnson ER. Exchange-hole dipole moment and the dispersion interaction: high-order dispersion coefficients. The Journal of Chemical Physics. 124: 14104. PMID 16409021 DOI: 10.1063/1.2139668 |
0.765 |
|
| 2006 |
Johnson ER, Becke AD. Van der Waals interactions from the exchange hole dipole moment: Application to bio-organic benchmark systems Chemical Physics Letters. 432: 600-603. DOI: 10.1016/J.Cplett.2006.10.094 |
0.78 |
|
| 2006 |
Johnson ER, DiLabio GA. Structure and binding energies in van der Waals dimers: Comparison between density functional theory and correlated ab initio methods Chemical Physics Letters. 419: 333-339. DOI: 10.1016/J.Cplett.2005.11.099 |
0.76 |
|
| 2005 |
Becke AD, Johnson ER. A density-functional model of the dispersion interaction. The Journal of Chemical Physics. 123: 154101. PMID 16252936 DOI: 10.1063/1.2065267 |
0.803 |
|
| 2005 |
Johnson ER, Becke AD. A post-Hartree-Fock model of intermolecular interactions. The Journal of Chemical Physics. 123: 24101. PMID 16050735 DOI: 10.1063/1.1949201 |
0.798 |
|
| 2005 |
Becke AD, Johnson ER. Exchange-hole dipole moment and the dispersion interaction. The Journal of Chemical Physics. 122: 154104. PMID 15945622 DOI: 10.1063/1.1884601 |
0.776 |
|
| 2005 |
DiLabio GA, Wolkow RA, Johnson ER. Efficient silicon surface and cluster modeling using quantum capping potentials. The Journal of Chemical Physics. 122: 44708. PMID 15740284 DOI: 10.1063/1.1839857 |
0.697 |
|
| 2005 |
Johnson ER, Wolkow RA, DiLabio GA. Reply to comment on ‘Application of 25 density functionals to dispersion-bound homomolecular dimers’ [Chem. Phys. Lett. 394 (2004) 334–338] Chemical Physics Letters. 401: 595-596. DOI: 10.1016/J.Cplett.2004.11.092 |
0.726 |
|
| 2004 |
Johnson ER, DiLabio GA. A theoretical study of the dispersion-bound silane-methane dimer Chemical Physics Letters. 397: 314-318. DOI: 10.1016/J.Cplett.2004.08.124 |
0.712 |
|
| 2004 |
Johnson ER, Wolkow RA, Dilabio GA. Application of 25 density functionals to dispersion-bound homomolecular dimers Chemical Physics Letters. 394: 334-338. DOI: 10.1016/J.Cplett.2004.07.029 |
0.739 |
|
| 2003 |
Johnson ER, Clarkin OJ, DiLabio GA. Density functional theory based model calculations for accurate bond dissociation enthalpies. 3. A single approach for X-H, X-X, and X-Y (X, Y = C, N, O, S, halogen) bonds Journal of Physical Chemistry A. 107: 9953-9963. DOI: 10.1021/Jp035315Q |
0.712 |
|
| 2002 |
Kruse P, Johnson ER, DiLabio GA, Wolkow RA. Patterning of Vinylferrocene on H-Si(100) via Self-Directed Growth of Molecular Lines and STM-Induced Decomposition Nano Letters. 2: 807-810. DOI: 10.1021/Nl025628H |
0.674 |
|
| 2001 |
Wright JS, Johnson ER, DiLabio GA. Predicting the activity of phenolic antioxidants: theoretical method, analysis of substituent effects, and application to major families of antioxidants. Journal of the American Chemical Society. 123: 1173-83. PMID 11456671 DOI: 10.1021/Ja002455U |
0.718 |
|
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