| Year |
Citation |
Score |
| 2022 |
Mizrahi A, Bhowmik S, Manna AK, Sinha W, Kumar A, Saphier M, Mahammed A, Patra M, Fridman N, Zilbermann I, Kronik L, Gross Z. Electronic Coupling and Electrocatalysis in Redox Active Fused Iron Corroles. Inorganic Chemistry. PMID 36512733 DOI: 10.1021/acs.inorgchem.2c01389 |
0.753 |
|
| 2022 |
Deb S, Cao W, Raab N, Watanabe K, Taniguchi T, Goldstein M, Kronik L, Urbakh M, Hod O, Ben Shalom M. Cumulative polarization in conductive interfacial ferroelectrics. Nature. PMID 36352233 DOI: 10.1038/s41586-022-05341-5 |
0.603 |
|
| 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, ... ... Kronik L, 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 |
0.585 |
|
| 2022 |
Biran I, Houben L, Weismann H, Hildebrand M, Kronik L, Rybtchinski B. Real-Space Crystal Structure Analysis by Low-Dose Focal-Series TEM Imaging of Organic Materials with Near-Atomic Resolution. Advanced Materials (Deerfield Beach, Fla.). e2202088. PMID 35451121 DOI: 10.1002/adma.202202088 |
0.563 |
|
| 2022 |
Prokopiou G, Hartstein M, Govind N, Kronik L. Optimal Tuning Perspective of Range-Separated Double Hybrid Functionals. Journal of Chemical Theory and Computation. 18: 2331-2340. PMID 35369687 DOI: 10.1021/acs.jctc.2c00082 |
0.629 |
|
| 2022 |
Shepelenko M, Hirsch A, Varsano N, Beghi F, Addadi L, Kronik L, Leiserowitz L. Polymorphism, Structure, and Nucleation of Cholesterol·HO at Aqueous Interfaces and in Pathological Media: Revisited from a Computational Perspective. Journal of the American Chemical Society. PMID 35293741 DOI: 10.1021/jacs.1c10563 |
0.556 |
|
| 2022 |
Gould T, Hashimi Z, Kronik L, Dale SG. Single Excitation Energies Obtained from the Ensemble "HOMO-LUMO Gap": Exact Results and Approximations. The Journal of Physical Chemistry Letters. 13: 2452-2458. PMID 35266399 DOI: 10.1021/acs.jpclett.2c00042 |
0.646 |
|
| 2022 |
Evers F, Aharony A, Bar-Gill N, Entin-Wohlman O, Hedegård P, Hod O, Jelinek P, Kamieniarz G, Lemeshko M, Michaeli K, Mujica V, Naaman R, Paltiel Y, Refaely-Abramson S, Tal O, ... ... Kronik L, et al. Theory of Chirality Induced Spin Selectivity: Progress and Challenges. Advanced Materials (Deerfield Beach, Fla.). e2106629. PMID 35064943 DOI: 10.1002/adma.202106629 |
0.769 |
|
| 2021 |
Ouyang W, Sofer R, Gao X, Hermann J, Tkatchenko A, Kronik L, Urbakh M, Hod O. Anisotropic Interlayer Force Field for Transition Metal Dichalcogenides: The Case of Molybdenum Disulfide. Journal of Chemical Theory and Computation. PMID 34719931 DOI: 10.1021/acs.jctc.1c00782 |
0.59 |
|
| 2021 |
Wing D, Ohad G, Haber JB, Filip MR, Gant SE, Neaton JB, Kronik L. Band gaps of crystalline solids from Wannier-localization-based optimal tuning of a screened range-separated hybrid functional. Proceedings of the National Academy of Sciences of the United States of America. 118. PMID 34417292 DOI: 10.1073/pnas.2104556118 |
0.626 |
|
| 2021 |
Liou KH, Biller A, Kronik L, Chelikowsky JR. Space-Filling Curves for Real-Space Electronic Structure Calculations. Journal of Chemical Theory and Computation. PMID 34081448 DOI: 10.1021/acs.jctc.1c00237 |
0.575 |
|
| 2021 |
Shin D, Zu F, Cohen AV, Yi Y, Kronik L, Koch N. Mechanism and Timescales of Reversible p-Doping of Methylammonium Lead Triiodide by Oxygen. Advanced Materials (Deerfield Beach, Fla.). e2100211. PMID 33938045 DOI: 10.1002/adma.202100211 |
0.595 |
|
| 2021 |
Kronik L, Rappe AM. Hydrogen freedom linked to perovskite efficiency. Nature Materials. PMID 33927393 DOI: 10.1038/s41563-021-01010-6 |
0.516 |
|
| 2021 |
Gould T, Kronik L. Ensemble generalized Kohn-Sham theory: The good, the bad, and the ugly. The Journal of Chemical Physics. 154: 094125. PMID 33685152 DOI: 10.1063/5.0040447 |
0.594 |
|
| 2020 |
Mondal AK, Brown N, Mishra S, Makam P, Wing D, Gilead S, Wiesenfeld Y, Leitus G, Shimon LJW, Carmieli R, Ehre D, Kamieniarz G, Fransson J, Hod O, Kronik L, et al. Long-Range Spin-Selective Transport in Chiral Metal-Organic Crystals with Temperature-Activated Magnetization. Acs Nano. PMID 33095016 DOI: 10.1021/acsnano.0c07569 |
0.58 |
|
| 2020 |
Kronik L, Kümmel S. Piecewise linearity, freedom from self-interaction, and a Coulomb asymptotic potential: three related yet inequivalent properties of the exact density functional. Physical Chemistry Chemical Physics : Pccp. PMID 32661542 DOI: 10.1039/D0Cp02564J |
0.673 |
|
| 2020 |
Qiu T, Kronik L, Rappe AM. A General Approach for Reducing Continuous Translational Symmetry Errors in Finite Difference Real-Space Calculations. Journal of Chemical Theory and Computation. PMID 32456435 DOI: 10.1021/Acs.Jctc.0C00238 |
0.611 |
|
| 2020 |
Garrick R, Natan A, Gould T, Kronik L. Exact Generalized Kohn-Sham Theory for Hybrid Functionals Physical Review X. 10. DOI: 10.1103/Physrevx.10.021040 |
0.439 |
|
| 2020 |
Azuri I, Ali ME, Tarafder K, Oppeneer PM, Kronik L. Fe‐porphyrin on Co(001) and Cu(001): A Comparative Dispersion‐augmented Density Functional Theory Study Israel Journal of Chemistry. DOI: 10.1002/Ijch.201900123 |
0.311 |
|
| 2019 |
Ouyang W, Azuri I, Mandelli D, Tkatchenko A, Kronik L, Urbakh M, Hod O. Mechanical and Tribological Properties of Layered Materials Under High Pressure: Assessing the Importance of Many-Body Dispersion Effects. Journal of Chemical Theory and Computation. PMID 31815463 DOI: 10.1021/Acs.Jctc.9B00908 |
0.611 |
|
| 2019 |
Pal AN, Li D, Sarkar S, Chakrabarti S, Vilan A, Kronik L, Smogunov A, Tal O. Nonmagnetic single-molecule spin-filter based on quantum interference. Nature Communications. 10: 5565. PMID 31804498 DOI: 10.1038/S41467-019-13537-Z |
0.592 |
|
| 2019 |
Zhang G, Hirsch A, Shmul G, Avram L, Elad N, Brumfeld V, Pinkas I, Feldman Y, Asher RB, Palmer BA, Kronik L, Leiserowitz L, Weiner S, Addadi L. Guanine and 7,8-dihydroxanthopterin reflecting crystals in the zander fish eye: crystal locations, compositions, and structures. Journal of the American Chemical Society. PMID 31762278 DOI: 10.1021/Jacs.9B08849 |
0.576 |
|
| 2019 |
Basavalingappa V, Bera S, Xue B, Azuri I, Tang Y, Tao K, Shimon LJW, Sawaya MR, Kolusheva S, Eisenberg DS, Kronik L, Cao Y, Wei G, Gazit E. Mechanically rigid supramolecular assemblies formed from an Fmoc-guanine conjugated peptide nucleic acid. Nature Communications. 10: 5256. PMID 31748568 DOI: 10.1038/S41467-019-13250-X |
0.612 |
|
| 2019 |
Kramer N, Sarkar S, Kronik L, Ashkenasy N. Systematic modification of the indium tin oxide work function via side-chain modulation of an amino-acid functionalization layer. Physical Chemistry Chemical Physics : Pccp. PMID 31553031 DOI: 10.1039/C9Cp04079J |
0.627 |
|
| 2019 |
Gould T, Pittalis S, Toulouse J, Kraisler E, Kronik L. Asymptotic behavior of the Hartree-exchange and correlation potentials in ensemble density functional theory. Physical Chemistry Chemical Physics : Pccp. PMID 31490521 DOI: 10.1039/C9Cp03633D |
0.816 |
|
| 2019 |
Weissman S, Antkowiak M, Brzostowski B, Kamieniarz G, Kronik L. Accurate magnetic couplings in chromium-based molecular rings from broken-symmetry calculations within density functional theory. Journal of Chemical Theory and Computation. PMID 31393723 DOI: 10.1021/Acs.Jctc.9B00459 |
0.666 |
|
| 2019 |
Cohen AV, Egger DA, Rappe AM, Kronik L. Breakdown of the Static Picture of Defect Energetics in Halide Perovskites: The Case of the Br Vacancy in CsPbBr. The Journal of Physical Chemistry Letters. PMID 31317738 DOI: 10.1021/Acs.Jpclett.9B01855 |
0.633 |
|
| 2019 |
Zu F, Amsalem P, Egger DA, Wang R, Wolff CM, Fang HH, Loi MA, Neher D, Kronik L, Duhm S, Koch N. Constructing CHNHPbI and CHNHPbBr Perovskite Thin Film Electronic Structure from Single Crystal Band Structure Measurements. The Journal of Physical Chemistry Letters. PMID 30642163 DOI: 10.1021/Acs.Jpclett.8B03728 |
0.637 |
|
| 2019 |
Wruss E, Prokopiou G, Kronik L, Zojer E, Hofmann OT, Egger DA. Magnetic configurations of open-shell molecules on metals: The case of CuPc and CoPc on silver Physical Review Materials. 3. DOI: 10.1103/Physrevmaterials.3.086002 |
0.34 |
|
| 2019 |
Wing D, Haber JB, Noff R, Barker B, Egger DA, Ramasubramaniam A, Louie SG, Neaton JB, Kronik L. Comparing time-dependent density functional theory with many-body perturbation theory for semiconductors: Screened range-separated hybrids and the
GW
plus Bethe-Salpeter approach Physical Review Materials. 3. DOI: 10.1103/Physrevmaterials.3.064603 |
0.359 |
|
| 2019 |
Hirsch A, Palmer BA, Ramasubramaniam A, Williams PA, Harris KDM, Pokroy B, Weiner S, Addadi L, Leiserowitz L, Kronik L. Structure and Morphology of Light-Reflecting Synthetic and Biogenic Polymorphs of Isoxanthopterin: A Comparison Chemistry of Materials. 31: 4479-4489. DOI: 10.1021/Acs.Chemmater.9B01039 |
0.323 |
|
| 2018 |
Xu B, Hirsch A, Kronik L, Poduska KM. Vibrational properties of isotopically enriched materials: the case of calcite. Rsc Advances. 8: 33985-33992. PMID 35548820 DOI: 10.1039/c8ra06608f |
0.544 |
|
| 2018 |
Bhandari S, Cheung MS, Geva E, Kronik L, Dunietz BD. Fundamental Gaps of Condensed-Phase Organic Semiconductors from Single-Molecule Calculations using Polarization-Consistent Optimally Tuned Screened Range-Separated Hybrid Functionals. Journal of Chemical Theory and Computation. PMID 30444365 DOI: 10.1021/Acs.Jctc.8B00876 |
0.767 |
|
| 2018 |
Kronik L. Special Issue: Materials Research in Israel. Advanced Materials (Deerfield Beach, Fla.). 30: e1805218. PMID 30295984 DOI: 10.1002/Adma.201805218 |
0.548 |
|
| 2018 |
Shi B, Weissman S, Bruneval F, Kronik L, Öğüt S. Photoelectron spectra of copper oxide cluster anions from first principles methods. The Journal of Chemical Physics. 149: 064306. PMID 30111139 DOI: 10.1063/1.5038744 |
0.644 |
|
| 2018 |
Banerjee-Ghosh K, Ben Dor O, Tassinari F, Capua E, Yochelis S, Capua A, Yang SH, Parkin SSP, Sarkar S, Kronik L, Baczewski LT, Naaman R, Paltiel Y. Separation of enantiomers by their enantiospecific interaction with achiral magnetic substrates. Science (New York, N.Y.). PMID 29748324 DOI: 10.1126/Science.Aar4265 |
0.611 |
|
| 2018 |
Gould T, Kronik L, Pittalis S. Charge transfer excitations from exact and approximate ensemble Kohn-Sham theory. The Journal of Chemical Physics. 148: 174101. PMID 29739200 DOI: 10.1063/1.5022832 |
0.65 |
|
| 2018 |
Manna AK, Refaely-Abramson S, Reilly AM, Tkatchenko A, Neaton JB, Kronik L. Quantitative prediction of optical absorption in molecular solids from an optimally-tuned screened range-separated hybrid functional. Journal of Chemical Theory and Computation. PMID 29727172 DOI: 10.1021/Acs.Jctc.7B01058 |
0.812 |
|
| 2018 |
Kronik L, Kümmel S. Dielectric Screening Meets Optimally Tuned Density Functionals. Advanced Materials (Deerfield Beach, Fla.). e1706560. PMID 29665112 DOI: 10.1002/Adma.201706560 |
0.682 |
|
| 2018 |
Egger DA, Bera A, Cahen D, Hodes G, Kirchartz T, Kronik L, Lovrincic R, Rappe AM, Reichman DR, Yaffe O. What Remains Unexplained about the Properties of Halide Perovskites? Advanced Materials (Deerfield Beach, Fla.). e1800691. PMID 29569287 DOI: 10.1002/Adma.201800691 |
0.585 |
|
| 2018 |
Azuri I, Hirsch A, Reilly AM, Tkatchenko A, Kendler S, Hod O, Kronik L. Terahertz spectroscopy of 2,4,6-trinitrotoluene molecular solids from first principles. Beilstein Journal of Organic Chemistry. 14: 381-388. PMID 29507643 DOI: 10.3762/Bjoc.14.26 |
0.606 |
|
| 2018 |
Guo C, Sarkar S, Refaely-Abramson S, Egger DA, Bendikov T, Yonezawa K, Suda Y, Yamaguchi T, Pecht I, Kera S, Ueno N, Sheves M, Kronik L, Cahen D. Electronic structure of dipeptides in the gas-phase and as an adsorbed monolayer. Physical Chemistry Chemical Physics : Pccp. PMID 29468242 DOI: 10.1039/C7Cp08043C |
0.784 |
|
| 2018 |
Palmer BA, Hirsch A, Brumfeld V, Aflalo ED, Pinkas I, Sagi A, Rosenne S, Oron D, Leiserowitz L, Kronik L, Weiner S, Addadi L. Optically functional isoxanthopterin crystals in the mirrored eyes of decapod crustaceans. Proceedings of the National Academy of Sciences of the United States of America. PMID 29463710 DOI: 10.1073/Pnas.1722531115 |
0.594 |
|
| 2018 |
Baer R, Kronik L. Time-dependent generalized Kohn–Sham theory The European Physical Journal B. 91. DOI: 10.1140/Epjb/E2018-90103-0 |
0.379 |
|
| 2018 |
Manna D, Blumberger J, Martin JML, Kronik L. Prediction of electronic couplings for molecular charge transfer using optimally tuned range-separated hybrid functionals Molecular Physics. 116: 2497-2505. DOI: 10.1080/00268976.2018.1489084 |
0.432 |
|
| 2018 |
Kabakova IV, Azuri I, Chen Z, Nayak PK, Snaith HJ, Kronik L, Paterson C, Bakulin AA, Egger DA. The effect of ionic composition on acoustic phonon speeds in hybrid perovskites from Brillouin spectroscopy and density functional theory Journal of Materials Chemistry C. 6: 3861-3868. DOI: 10.1039/C8Tc00875B |
0.338 |
|
| 2018 |
Alon H, Garrick R, Pujari SP, Toledano T, Sinai O, Kedem N, Bendikov T, Baio JE, Weidner T, Zuilhof H, Cahen D, Kronik L, Sukenik CN, Vilan A. Effect of Internal Heteroatoms on Level Alignment at Metal/Molecular Monolayer/Si Interfaces The Journal of Physical Chemistry C. 122: 3312-3325. DOI: 10.1021/Acs.Jpcc.7B09118 |
0.388 |
|
| 2018 |
Sarkar S, Yang J, Tan LZ, Rappe AM, Kronik L. Molecule-Adsorbed Topological Insulator and Metal Surfaces: A Comparative First-Principles Study Chemistry of Materials. 30: 1849-1855. DOI: 10.1021/Acs.Chemmater.7B03176 |
0.365 |
|
| 2017 |
Rangel T, Rinn A, Sharifzadeh S, da Jornada FH, Pick A, Louie SG, Witte G, Kronik L, Neaton JB, Chatterjee S. Low-lying excited states in crystalline perylene. Proceedings of the National Academy of Sciences of the United States of America. PMID 29279373 DOI: 10.1073/Pnas.1711126115 |
0.656 |
|
| 2017 |
Adler-Abramovich L, Arnon ZA, Sui X, Azuri I, Cohen H, Hod O, Kronik L, Shimon LJW, Wagner HD, Gazit E. Bioinspired Flexible and Tough Layered Peptide Crystals. Advanced Materials (Deerfield Beach, Fla.). PMID 29215205 DOI: 10.1002/Adma.201704551 |
0.624 |
|
| 2017 |
Prokopiou G, Kronik L. Spin-state energetics of Fe complexes from an optimally-tuned range-separated hybrid functional. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 28984392 DOI: 10.1002/Chem.201704014 |
0.635 |
|
| 2017 |
Wu X, Tan LZ, Shen X, Hu T, Miyata K, Trinh MT, Li R, Coffee R, Liu S, Egger DA, Makasyuk I, Zheng Q, Fry A, Robinson JS, Smith MD, ... ... Kronik L, et al. Light-induced picosecond rotational disordering of the inorganic sublattice in hybrid perovskites. Science Advances. 3: e1602388. PMID 28782016 DOI: 10.1126/Sciadv.1602388 |
0.646 |
|
| 2017 |
Brumboiu IE, Prokopiou G, Kronik L, Brena B. Valence electronic structure of cobalt phthalocyanine from an optimally tuned range-separated hybrid functional. The Journal of Chemical Physics. 147: 044301. PMID 28764387 DOI: 10.1063/1.4993623 |
0.664 |
|
| 2017 |
Zheng Z, Egger DA, Bredas JL, Kronik L, Coropceanu V. Effect of Solid-State Polarization on Charge-Transfer Excitations and Transport Levels at Organic Interfaces from a Screened Range-Separated Hybrid Functional. The Journal of Physical Chemistry Letters. PMID 28666085 DOI: 10.1021/Acs.Jpclett.7B01276 |
0.668 |
|
| 2017 |
Hirsch A, Palmer BA, Elad N, Gur D, Weiner S, Addadi L, Kronik L, Leiserowitz L. Biologically controlled morphology and twinning in guanine crystals. Angewandte Chemie (International Ed. in English). PMID 28626984 DOI: 10.1002/Anie.201704801 |
0.579 |
|
| 2017 |
Yaffe O, Guo Y, Tan LZ, Egger DA, Hull T, Stoumpos CC, Zheng F, Heinz TF, Kronik L, Kanatzidis MG, Owen JS, Rappe AM, Pimenta MA, Brus LE. Local Polar Fluctuations in Lead Halide Perovskite Crystals. Physical Review Letters. 118: 136001. PMID 28409968 DOI: 10.1103/Physrevlett.118.136001 |
0.611 |
|
| 2017 |
Zelovich T, Hansen T, Liu Z, Neaton JB, Kronik L, Hod O. Parameter-free driven Liouville-von Neumann approach for time-dependent electronic transport simulations in open quantum systems The Journal of Chemical Physics. 146: 092331. DOI: 10.1063/1.4976731 |
0.39 |
|
| 2017 |
Liu Z, Egger DA, Refaely-Abramson S, Kronik L, Neaton JB. Energy level alignment at molecule-metal interfaces from an optimally tuned range-separated hybrid functional The Journal of Chemical Physics. 146: 092326. DOI: 10.1063/1.4975321 |
0.768 |
|
| 2017 |
Maaravi T, Leven I, Azuri I, Kronik L, Hod O. Interlayer Potential for Homogeneous Graphene and Hexagonal Boron Nitride Systems: Reparametrization for Many-Body Dispersion Effects The Journal of Physical Chemistry C. 121: 22826-22835. DOI: 10.1021/Acs.Jpcc.7B07091 |
0.384 |
|
| 2016 |
Garrett BF, Azuri I, Kronik L, Chelikowsky JR. Real-space pseudopotential method for computing the vibrational Stark effect. The Journal of Chemical Physics. 145: 174111. PMID 27825233 DOI: 10.1063/1.4965918 |
0.635 |
|
| 2016 |
Meirzadeh E, Azuri I, Qi Y, Ehre D, Rappe AM, Lahav M, Kronik L, Lubomirsky I. Origin and structure of polar domains in doped molecular crystals. Nature Communications. 7: 13351. PMID 27824050 DOI: 10.1038/Ncomms13351 |
0.333 |
|
| 2016 |
Guo C, Yu X, Refaely-Abramson S, Sepunaru L, Bendikov T, Pecht I, Kronik L, Vilan A, Sheves M, Cahen D. Tuning electronic transport via hepta-alanine peptides junction by tryptophan doping. Proceedings of the National Academy of Sciences of the United States of America. PMID 27621456 DOI: 10.1073/Pnas.1606779113 |
0.796 |
|
| 2016 |
Endres J, Egger DA, Kulbak M, Kerner RA, Zhao L, Silver SH, Hodes G, Rand BP, Cahen D, Kronik L, Kahn A. Valence and Conduction Band Densities of States of Metal Halide Perovskites: A Combined Experimental - Theoretical Study. The Journal of Physical Chemistry Letters. PMID 27364125 DOI: 10.1021/Acs.Jpclett.6B00946 |
0.665 |
|
| 2016 |
Leven I, Maaravi T, Azuri I, Kronik L, Hod O. Inter-Layer Potential for Graphene/h-BN Heterostructures. Journal of Chemical Theory and Computation. PMID 27168429 DOI: 10.1021/Acs.Jctc.6B00147 |
0.62 |
|
| 2016 |
Dastidar S, Egger DA, Tan LZ, Cromer SB, Dillon AD, Liu S, Kronik L, Rappe AM, Fafarman AT. High Chloride Doping Levels Stabilize the Perovskite Phase of Cesium Lead Iodide. Nano Letters. PMID 27135266 DOI: 10.1021/Acs.Nanolett.6B00635 |
0.631 |
|
| 2016 |
Kronik L, Neaton JB. Excited-State Properties of Molecular Solids from First Principles. Annual Review of Physical Chemistry. PMID 27090844 DOI: 10.1146/Annurev-Physchem-040214-121351 |
0.67 |
|
| 2016 |
Rakhmilevitch D, Sarkar S, Bitton O, Kronik L, Tal O. Enhanced Magnetoresistance in Molecular Junctions by Geometrical Optimization of Spin-Selective Orbital Hybridization. Nano Letters. PMID 26926769 DOI: 10.1021/Acs.Nanolett.5B04674 |
0.637 |
|
| 2016 |
Eckshtain-Levi M, Capua E, Refaely-Abramson S, Sarkar S, Gavrilov Y, Mathew SP, Paltiel Y, Levy Y, Kronik L, Naaman R. Cold denaturation induces inversion of dipole and spin transfer in chiral peptide monolayers. Nature Communications. 7: 10744. PMID 26916536 DOI: 10.1038/Ncomms10744 |
0.776 |
|
| 2016 |
Egger DA, Rappe AM, Kronik L. Hybrid Organic-Inorganic Perovskites on the Move. Accounts of Chemical Research. PMID 26878152 DOI: 10.1021/Acs.Accounts.5B00540 |
0.645 |
|
| 2016 |
Li Y, Zolotavin P, Doak PW, Kronik L, Neaton JB, Natelson D. Interplay of bias-driven charging and the vibrational Stark effect in molecular junctions. Nano Letters. PMID 26814562 DOI: 10.1021/Acs.Nanolett.5B04340 |
0.632 |
|
| 2016 |
Tung RT, Kronik L. Band offset formation at semiconductor heterojunctions through density-based minimization of interface energy Physical Review B. 94: 75310. DOI: 10.1103/Physrevb.94.075310 |
0.449 |
|
| 2016 |
Rangel T, Berland K, Sharifzadeh S, Brown-Altvater F, Lee K, Hyldgaard P, Kronik L, Neaton JB. Structural and excited-state properties of oligoacene crystals from first principles Physical Review B - Condensed Matter and Materials Physics. 93. DOI: 10.1103/Physrevb.93.115206 |
0.422 |
|
| 2016 |
Sarkar S, Kronik L. Ionisation and (de-)protonation energies of gas-phase amino acids from an optimally tuned range-separated hybrid functional Molecular Physics. 1-7. DOI: 10.1080/00268976.2016.1150531 |
0.39 |
|
| 2016 |
Brenner TM, Egger DA, Kronik L, Hodes G, Cahen D. Hybrid organic—inorganic perovskites: low-cost semiconductors with intriguing charge-transport properties Nature Reviews Materials. 1. DOI: 10.1038/Natrevmats.2015.7 |
0.333 |
|
| 2016 |
Zelovich T, Kronik L, Hod O. Driven Liouville von Neumann Approach for Time-Dependent Electronic Transport Calculations in a Nonorthogonal Basis-Set Representation Journal of Physical Chemistry C. 120: 15052-15062. DOI: 10.1021/Acs.Jpcc.6B03838 |
0.403 |
|
| 2015 |
Brenner TM, Egger DA, Rappe AM, Kronik L, Hodes G, Cahen D. Are Mobilities in Hybrid Organic-Inorganic Halide Perovskites Actually "High"? The Journal of Physical Chemistry Letters. 6: 4754-7. PMID 26631359 DOI: 10.1021/Acs.Jpclett.5B02390 |
0.623 |
|
| 2015 |
Zelovich T, Kronik L, Hod O. Molecule-lead coupling at molecular junctions: relation between the real- and state-space perspectives. Journal of Chemical Theory and Computation. 11: 4861-9. PMID 26574274 DOI: 10.1021/Acs.Jctc.5B00612 |
0.626 |
|
| 2015 |
Kraisler E, Schmidt T, Kümmel S, Kronik L. Effect of ensemble generalization on the highest-occupied Kohn-Sham eigenvalue. The Journal of Chemical Physics. 143: 104105. PMID 26374016 DOI: 10.1063/1.4930119 |
0.822 |
|
| 2015 |
Azuri I, Meirzadeh E, Ehre D, Cohen SR, Rappe AM, Lahav M, Lubomirsky I, Kronik L. Unusually Large Young's Moduli of Amino Acid Molecular Crystals. Angewandte Chemie (International Ed. in English). PMID 26373817 DOI: 10.1002/Anie.201505813 |
0.602 |
|
| 2015 |
Berry J, Buonassisi T, Egger DA, Hodes G, Kronik L, Loo YL, Lubomirsky I, Marder SR, Mastai Y, Miller JS, Mitzi DB, Paz Y, Rappe AM, Riess I, Rybtchinski B, et al. Hybrid Organic-Inorganic Perovskites (HOIPs): Opportunities and Challenges. Advanced Materials (Deerfield Beach, Fla.). 27: 5102-12. PMID 26223962 DOI: 10.1002/Adma.201502294 |
0.589 |
|
| 2015 |
Sepunaru L, Refaely-Abramson S, Lovrinčić R, Gavrilov Y, Agrawal P, Levy Y, Kronik L, Pecht I, Sheves M, Cahen D. Electronic Transport via Homopeptides: The Role of Side Chains and Secondary Structure. Journal of the American Chemical Society. 137: 9617-26. PMID 26149234 DOI: 10.1021/Jacs.5B03933 |
0.782 |
|
| 2015 |
Egger DA, Kronik L, Rappe AM. Theory of Hydrogen Migration in Organic-Inorganic Halide Perovskites. Angewandte Chemie (International Ed. in English). PMID 26073061 DOI: 10.1002/Anie.201502544 |
0.626 |
|
| 2015 |
Egger DA, Liu ZF, Neaton JB, Kronik L. Reliable energy level alignment at physisorbed molecule-metal interfaces from density functional theory. Nano Letters. 15: 2448-55. PMID 25741626 DOI: 10.1021/Nl504863R |
0.68 |
|
| 2015 |
Vlček V, Eisenberg HR, Steinle-Neumann G, Kronik L, Baer R. Deviations from piecewise linearity in the solid-state limit with approximate density functionals. The Journal of Chemical Physics. 142: 034107. PMID 25612689 DOI: 10.1063/1.4905236 |
0.688 |
|
| 2015 |
Kronik L. Structural, Electronic, and Optical Properties of Organic Electronic Materials from Density Functional Theory Frontiers in Optics. DOI: 10.1364/Ls.2015.Lm3H.3 |
0.434 |
|
| 2015 |
Refaely-Abramson S, Jain M, Sharifzadeh S, Neaton JB, Kronik L. Solid-state optical absorption from optimally tuned time-dependent range-separated hybrid density functional theory Physical Review B - Condensed Matter and Materials Physics. 92. DOI: 10.1103/Physrevb.92.081204 |
0.756 |
|
| 2015 |
Sinai O, Hofmann OT, Rinke P, Scheffler M, Heimel G, Kronik L. Multiscale approach to the electronic structure of doped semiconductor surfaces Physical Review B - Condensed Matter and Materials Physics. 91. DOI: 10.1103/Physrevb.91.075311 |
0.417 |
|
| 2015 |
Kraisler E, Kronik L. Elimination of the asymptotic fractional dissociation problem in Kohn-Sham density-functional theory using the ensemble-generalization approach Physical Review A. 91. DOI: 10.1103/Physreva.91.032504 |
0.81 |
|
| 2015 |
Hirsch A, Gur D, Polishchuk I, Levy D, Pokroy B, Cruz-Cabeza AJ, Addadi L, Kronik L, Leiserowitz L. "guanigma": The Revised Structure of Biogenic Anhydrous Guanine Chemistry of Materials. 27: 8289-8297. DOI: 10.1021/Acs.Chemmater.5B03549 |
0.302 |
|
| 2015 |
Toledano T, Garrick R, Sinai O, Bendikov T, Haj-Yahia AE, Lerman K, Alon H, Sukenik CN, Vilan A, Kronik L, Cahen D. Effect of binding group on hybridization across the silicon/aromatic-monolayer interface Journal of Electron Spectroscopy and Related Phenomena. DOI: 10.1016/J.Elspec.2015.05.019 |
0.399 |
|
| 2015 |
Sharifzadeh S, Wong CY, Wu H, Cotts BL, Kronik L, Ginsberg NS, Neaton JB. Relating the Physical Structure and Optoelectronic Function of Crystalline TIPS-Pentacene Advanced Functional Materials. 25: 2038-2046. DOI: 10.1002/Adfm.201403005 |
0.42 |
|
| 2014 |
Zelovich T, Kronik L, Hod O. State Representation Approach for Atomistic Time-Dependent Transport Calculations in Molecular Junctions. Journal of Chemical Theory and Computation. 10: 2927-41. PMID 26588268 DOI: 10.1021/Ct500135E |
0.63 |
|
| 2014 |
Tamblyn I, Refaely-Abramson S, Neaton JB, Kronik L. Simultaneous Determination of Structures, Vibrations, and Frontier Orbital Energies from a Self-Consistent Range-Separated Hybrid Functional. The Journal of Physical Chemistry Letters. 5: 2734-41. PMID 26277972 DOI: 10.1021/Jz5010939 |
0.799 |
|
| 2014 |
Egger DA, Kronik L. Role of Dispersive Interactions in Determining Structural Properties of Organic-Inorganic Halide Perovskites: Insights from First-Principles Calculations. The Journal of Physical Chemistry Letters. 5: 2728-33. PMID 26277971 DOI: 10.1021/Jz5012934 |
0.65 |
|
| 2014 |
Kronik L, Tkatchenko A. Understanding molecular crystals with dispersion-inclusive density functional theory: pairwise corrections and beyond. Accounts of Chemical Research. 47: 3208-16. PMID 24901508 DOI: 10.1021/Ar500144S |
0.656 |
|
| 2014 |
Egger DA, Weissman S, Refaely-Abramson S, Sharifzadeh S, Dauth M, Baer R, Kümmel S, Neaton JB, Zojer E, Kronik L. Outer-valence Electron Spectra of Prototypical Aromatic Heterocycles from an Optimally Tuned Range-Separated Hybrid Functional. Journal of Chemical Theory and Computation. 10: 1934-1952. PMID 24839410 DOI: 10.1021/Ct400956H |
0.823 |
|
| 2014 |
Kraisler E, Kronik L. Fundamental gaps with approximate density functionals: the derivative discontinuity revealed from ensemble considerations. The Journal of Chemical Physics. 140: 18A540. PMID 24832348 DOI: 10.1063/1.4871462 |
0.827 |
|
| 2014 |
Schmidt T, Kraisler E, Makmal A, Kronik L, Kümmel S. A self-interaction-free local hybrid functional: accurate binding energies vis-à-vis accurate ionization potentials from Kohn-Sham eigenvalues. The Journal of Chemical Physics. 140: 18A510. PMID 24832318 DOI: 10.1063/1.4865942 |
0.806 |
|
| 2014 |
Vardimon R, Yelin T, Klionsky M, Sarkar S, Biller A, Kronik L, Tal O. Probing the orbital origin of conductance oscillations in atomic chains. Nano Letters. 14: 2988-93. PMID 24810575 DOI: 10.1021/Nl4041737 |
0.616 |
|
| 2014 |
Kronik L, Kümmel S. Gas-phase valence-electron photoemission spectroscopy using density functional theory. Topics in Current Chemistry. 347: 137-91. PMID 24760614 DOI: 10.1007/128_2013_522 |
0.663 |
|
| 2014 |
Leven I, Azuri I, Kronik L, Hod O. Inter-layer potential for hexagonal boron nitride. The Journal of Chemical Physics. 140: 104106. PMID 24628151 DOI: 10.1063/1.4867272 |
0.614 |
|
| 2014 |
Schmidt T, Kraisler E, Kronik L, Kümmel S. One-electron self-interaction and the asymptotics of the Kohn-Sham potential: an impaired relation. Physical Chemistry Chemical Physics : Pccp. 16: 14357-67. PMID 24618904 DOI: 10.1039/C3Cp55433C |
0.811 |
|
| 2014 |
Li Y, Doak P, Kronik L, Neaton JB, Natelson D. Voltage tuning of vibrational mode energies in single-molecule junctions. Proceedings of the National Academy of Sciences of the United States of America. 111: 1282-7. PMID 24474749 DOI: 10.1073/Pnas.1320210111 |
0.626 |
|
| 2014 |
Azuri I, Adler-Abramovich L, Gazit E, Hod O, Kronik L. Why are diphenylalanine-based peptide nanostructures so rigid? Insights from first principles calculations. Journal of the American Chemical Society. 136: 963-9. PMID 24368025 DOI: 10.1021/Ja408713X |
0.646 |
|
| 2014 |
Lüftner D, Refaely-Abramson S, Pachler M, Resel R, Ramsey MG, Kronik L, Puschnig P. Experimental and theoretical electronic structure of quinacridone Physical Review B. 90. DOI: 10.1103/Physrevb.90.075204 |
0.773 |
|
| 2014 |
Feldman B, Seideman T, Hod O, Kronik L. Real-space method for highly parallelizable electronic transport calculations Physical Review B - Condensed Matter and Materials Physics. 90. DOI: 10.1103/Physrevb.90.035445 |
0.409 |
|
| 2014 |
Hirsch A, Azuri I, Addadi L, Weiner S, Yang K, Curtarolo S, Kronik L. Infrared absorption spectrum of brushite from first principles Chemistry of Materials. 26: 2934-2942. DOI: 10.1021/Cm500650T |
0.302 |
|
| 2013 |
Agrawal P, Tkatchenko A, Kronik L. Pair-Wise and Many-Body Dispersive Interactions Coupled to an Optimally Tuned Range-Separated Hybrid Functional. Journal of Chemical Theory and Computation. 9: 3473-8. PMID 26584103 DOI: 10.1021/Ct400446T |
0.648 |
|
| 2013 |
Cohen O, Kronik L, Brandt A. Locally Refined Multigrid Solution of the All-Electron Kohn-Sham Equation. Journal of Chemical Theory and Computation. 9: 4744-60. PMID 26583393 DOI: 10.1021/Ct400479U |
0.63 |
|
| 2013 |
Kraisler E, Kronik L. Piecewise linearity of approximate density functionals revisited: implications for frontier orbital energies. Physical Review Letters. 110: 126403. PMID 25166825 DOI: 10.1103/Physrevlett.110.126403 |
0.821 |
|
| 2013 |
Yaffe O, Ely T, Har-Lavan R, Egger DA, Johnston S, Cohen H, Kronik L, Vilan A, Cahen D. Effect of Molecule-Surface Reaction Mechanism on the Electronic Characteristics and Photovoltaic Performance of Molecularly Modified Si. The Journal of Physical Chemistry. C, Nanomaterials and Interfaces. 117: 22351-22361. PMID 24205409 DOI: 10.1021/Jp4027755 |
0.603 |
|
| 2013 |
Karolewski A, Kronik L, Kümmel S. Using optimally tuned range separated hybrid functionals in ground-state calculations: consequences and caveats. The Journal of Chemical Physics. 138: 204115. PMID 23742462 DOI: 10.1063/1.4807325 |
0.672 |
|
| 2013 |
Yelin T, Vardimon R, Kuritz N, Korytár R, Bagrets A, Evers F, Kronik L, Tal O. Atomically wired molecular junctions: connecting a single organic molecule by chains of metal atoms. Nano Letters. 13: 1956-61. PMID 23517527 DOI: 10.1021/Nl304702Z |
0.623 |
|
| 2013 |
Refaely-Abramson S, Sharifzadeh S, Jain M, Baer R, Neaton JB, Kronik L. Gap renormalization of molecular crystals from density-functional theory Physical Review B - Condensed Matter and Materials Physics. 88. DOI: 10.1103/Physrevb.88.081204 |
0.725 |
|
| 2013 |
Salomon E, Amsalem P, Marom N, Vondracek M, Kronik L, Koch N, Angot T. Electronic structure of CoPc adsorbed on Ag(100): Evidence for molecule-substrate interaction mediated by Co 3d orbitals Physical Review B - Condensed Matter and Materials Physics. 87. DOI: 10.1103/Physrevb.87.075407 |
0.422 |
|
| 2013 |
Sharifzadeh S, Darancet P, Kronik L, Neaton JB. Low-energy charge-transfer excitons in organic solids from first-principles: The case of pentacene Journal of Physical Chemistry Letters. 4: 2197-2201. DOI: 10.1021/Jz401069F |
0.416 |
|
| 2013 |
Yaffe O, Pujari S, Sinai O, Vilan A, Zuilhof H, Kahn A, Kronik L, Cohen H, Cahen D. Effect of doping density on the charge rearrangement and interface dipole at the molecule-silicon interface Journal of Physical Chemistry C. 117: 22422-22427. DOI: 10.1021/Jp403177E |
0.31 |
|
| 2012 |
Kronik L, Stein T, Refaely-Abramson S, Baer R. Excitation Gaps of Finite-Sized Systems from Optimally Tuned Range-Separated Hybrid Functionals. Journal of Chemical Theory and Computation. 8: 1515-31. PMID 26593646 DOI: 10.1021/Ct2009363 |
0.821 |
|
| 2012 |
Stein T, Autschbach J, Govind N, Kronik L, Baer R. Curvature and Frontier Orbital Energies in Density Functional Theory. The Journal of Physical Chemistry Letters. 3: 3740-4. PMID 26291104 DOI: 10.1021/Jz3015937 |
0.696 |
|
| 2012 |
Rissner F, Natan A, Egger DA, Hofmann OT, Kronik L, Zojer E. Dimensionality effects in the electronic structure of organic semiconductors consisting of polar repeat units. Organic Electronics. 13: 3165-3176. PMID 23470879 DOI: 10.1016/J.Orgel.2012.09.003 |
0.642 |
|
| 2012 |
Refaely-Abramson S, Sharifzadeh S, Govind N, Autschbach J, Neaton JB, Baer R, Kronik L. Quasiparticle spectra from a nonempirical optimally tuned range-separated hybrid density functional. Physical Review Letters. 109: 226405. PMID 23368141 DOI: 10.1103/Physrevlett.109.226405 |
0.824 |
|
| 2012 |
Li Y, Calder S, Yaffe O, Cahen D, Haick H, Kronik L, Zuilhof H. Hybrids of organic molecules and flat, oxide-free silicon: high-density monolayers, electronic properties, and functionalization. Langmuir : the Acs Journal of Surfaces and Colloids. 28: 9920-9. PMID 22587009 DOI: 10.1021/La3010568 |
0.647 |
|
| 2012 |
Sharifzadeh S, Biller A, Kronik L, Neaton JB. Quasiparticle and optical spectroscopy of the organic semiconductors pentacene and PTCDA from first principles Physical Review B - Condensed Matter and Materials Physics. 85. DOI: 10.1103/Physrevb.85.125307 |
0.41 |
|
| 2012 |
Yaffe O, Qi Y, Scheres L, Puniredd SR, Segev L, Ely T, Haick H, Zuilhof H, Vilan A, Kronik L, Kahn A, Cahen D. Charge transport across metal/molecular (alkyl) monolayer-Si junctions is dominated by the LUMO level Physical Review B - Condensed Matter and Materials Physics. 85. DOI: 10.1103/Physrevb.85.045433 |
0.672 |
|
| 2011 |
Makmal A, Kümmel S, Kronik L. Fully Numerical All-Electron Solutions of the Optimized Effective Potential Equation for Diatomic Molecules. Journal of Chemical Theory and Computation. 7: 2665. PMID 26606639 DOI: 10.1021/ct200381z |
0.784 |
|
| 2011 |
Kuritz N, Stein T, Baer R, Kronik L. Charge-Transfer-Like π→π* Excitations in Time-Dependent Density Functional Theory: A Conundrum and Its Solution. Journal of Chemical Theory and Computation. 7: 2408-15. PMID 26606616 DOI: 10.1021/Ct2002804 |
0.67 |
|
| 2011 |
Marom N, Tkatchenko A, Rossi M, Gobre VV, Hod O, Scheffler M, Kronik L. Dispersion Interactions with Density-Functional Theory: Benchmarking Semiempirical and Interatomic Pairwise Corrected Density Functionals. Journal of Chemical Theory and Computation. 7: 3944-51. PMID 26598340 DOI: 10.1021/Ct2005616 |
0.67 |
|
| 2011 |
Biller A, Tamblyn I, Neaton JB, Kronik L. Electronic level alignment at a metal-molecule interface from a short-range hybrid functional. The Journal of Chemical Physics. 135: 164706. PMID 22047262 DOI: 10.1063/1.3655357 |
0.68 |
|
| 2011 |
Rissner F, Egger DA, Natan A, Körzdörfer T, Kümmel S, Kronik L, Zojer E. Collectively induced quantum-confined Stark effect in monolayers of molecules consisting of polar repeating units. Journal of the American Chemical Society. 133: 18634-45. PMID 21955058 DOI: 10.1021/Ja203579C |
0.683 |
|
| 2011 |
Poduska KM, Regev L, Boaretto E, Addadi L, Weiner S, Kronik L, Curtarolo S. Decoupling local disorder and optical effects in infrared spectra: differentiating between calcites with different origins. Advanced Materials (Deerfield Beach, Fla.). 23: 550-4. PMID 21254262 DOI: 10.1002/Adma.201003890 |
0.586 |
|
| 2011 |
Marom N, Ren X, Moussa JE, Chelikowsky JR, Kronik L. Electronic structure of copper phthalocyanine from G0W 0 calculations Physical Review B - Condensed Matter and Materials Physics. 84. DOI: 10.1103/Physrevb.84.195143 |
0.363 |
|
| 2011 |
Refaely-Abramson S, Baer R, Kronik L. Fundamental and excitation gaps in molecules of relevance for organic photovoltaics from an optimally tuned range-separated hybrid functional Physical Review B. 84. DOI: 10.1103/Physrevb.84.075144 |
0.726 |
|
| 2011 |
Makmal A, Kümmel S, Kronik L. Dissociation of diatomic molecules and the exact-exchange Kohn-Sham potential: The case of LiF Physical Review A. 83. DOI: 10.1103/Physreva.83.062512 |
0.798 |
|
| 2011 |
Aqua T, Cohen H, Sinai O, Frydman V, Bendikov T, Krepel D, Hod O, Kronik L, Naaman R. Role of Backbone Charge Rearrangement in the Bond-Dipole and Work Function of Molecular Monolayers The Journal of Physical Chemistry C. 115: 24888-24892. DOI: 10.1021/Jp208411F |
0.367 |
|
| 2010 |
Marom N, Tkatchenko A, Scheffler M, Kronik L. Describing Both Dispersion Interactions and Electronic Structure Using Density Functional Theory: The Case of Metal-Phthalocyanine Dimers. Journal of Chemical Theory and Computation. 6: 81-90. PMID 26614321 DOI: 10.1021/Ct900410J |
0.672 |
|
| 2010 |
Stein T, Eisenberg H, Kronik L, Baer R. Fundamental gaps in finite systems from eigenvalues of a generalized Kohn-Sham method. Physical Review Letters. 105: 266802. PMID 21231698 DOI: 10.1103/Physrevlett.105.266802 |
0.685 |
|
| 2010 |
Marom N, Bernstein J, Garel J, Tkatchenko A, Joselevich E, Kronik L, Hod O. Stacking and registry effects in layered materials: the case of hexagonal boron nitride. Physical Review Letters. 105: 046801. PMID 20867872 DOI: 10.1103/Physrevlett.105.046801 |
0.626 |
|
| 2010 |
Kronik L, Koch N. Electronic Properties of Organic-Based Interfaces Mrs Bulletin. 35: 417-421. DOI: 10.1557/Mrs2010.578 |
0.359 |
|
| 2010 |
Cahen D, Yaffe O, Scheres L, Segev L, Biller A, Ron I, Salomon E, Giesbers M, Kahn A, Kronik L, Zuilhof H, Vilan A. Hg/molecular monolayer-Si junctions: Electrical interplay between monolayer properties and semiconductor doping density Journal of Physical Chemistry C. 114: 10270-10279. DOI: 10.1021/Jp101656T |
0.663 |
|
| 2010 |
Natan A, Kuritz N, Kronik L. Polarizability, Susceptibility, and Dielectric Constant of Nanometer-Scale Molecular Films: A Microscopic View Advanced Functional Materials. 20: 2077-2084. DOI: 10.1002/Adfm.200902162 |
0.37 |
|
| 2009 |
Makmal A, Kümmel S, Kronik L. Fully Numerical All-Electron Solutions of the Optimized Effective Potential Equation for Diatomic Molecules. Journal of Chemical Theory and Computation. 5: 1731-40. PMID 26609998 DOI: 10.1021/Ct800485V |
0.797 |
|
| 2009 |
Capua E, Natan A, Kronik L, Naaman R. The molecularly controlled semiconductor resistor: how does it work? Acs Applied Materials & Interfaces. 1: 2679-83. PMID 20356142 DOI: 10.1021/Am9005622 |
0.581 |
|
| 2009 |
Stein T, Kronik L, Baer R. Prediction of charge-transfer excitations in coumarin-based dyes using a range-separated functional tuned from first principles. The Journal of Chemical Physics. 131: 244119. PMID 20059066 DOI: 10.1063/1.3269029 |
0.649 |
|
| 2009 |
Landau A, Nitzan A, Kronik L. Cooperative effects in molecular conduction II: The semiconductor-metal molecular junction. The Journal of Physical Chemistry. A. 113: 7451-60. PMID 19348487 DOI: 10.1021/Jp900301F |
0.637 |
|
| 2009 |
Stein T, Kronik L, Baer R. Reliable prediction of charge transfer excitations in molecular complexes using time-dependent density functional theory. Journal of the American Chemical Society. 131: 2818-20. PMID 19239266 DOI: 10.1021/Ja8087482 |
0.653 |
|
| 2009 |
Schultz BD, Marom N, Naveh D, Lou X, Adelmann C, Strand J, Crowell PA, Kronik L, Palmstrøm CJ. Spin injection across the Fe/GaAs interface: Role of interfacial ordering Physical Review B - Condensed Matter and Materials Physics. 80. DOI: 10.1103/Physrevb.80.201309 |
0.3 |
|
| 2009 |
Makmal A, Armiento R, Engel E, Kronik L, Kümmel S. Examining the role of pseudopotentials in exact-exchange-based Kohn-Sham gaps Physical Review B. 80. DOI: 10.1103/Physrevb.80.161204 |
0.813 |
|
| 2009 |
Körzdörfer T, Kümmel S, Marom N, Kronik L. When to trust photoelectron spectra from Kohn-Sham eigenvalues: The case of organic semiconductors Physical Review B. 79: 201205. DOI: 10.1103/Physrevb.79.201205 |
0.412 |
|
| 2009 |
Naveh D, Kronik L. Real-space pseudopotential method for noncollinear magnetism within density functional theory Solid State Communications. 149: 177-180. DOI: 10.1016/J.Ssc.2008.09.060 |
0.356 |
|
| 2009 |
Marom N, Kronik L. Density functional theory of transition metal phthalocyanines, I: electronic structure of NiPc and CoPc-self-interaction effects Applied Physics A. 95: 159-163. DOI: 10.1007/S00339-008-5007-Z |
0.443 |
|
| 2009 |
Marom N, Kronik L. Density functional theory of transition metal phthalocyanines, II: electronic structure of MnPc and FePc—symmetry and symmetry breaking Applied Physics A. 95: 165-172. DOI: 10.1007/S00339-008-5005-1 |
0.459 |
|
| 2008 |
Marom N, Hod O, Scuseria GE, Kronik L. Electronic structure of copper phthalocyanine: a comparative density functional theory study. The Journal of Chemical Physics. 128: 164107. PMID 18447421 DOI: 10.1063/1.2898540 |
0.679 |
|
| 2008 |
Kümmel S, Kronik L. Orbital-dependent density functionals: Theory and applications Reviews of Modern Physics. 80: 3-60. DOI: 10.1103/Revmodphys.80.3 |
0.427 |
|
| 2008 |
Natan A, Benjamini A, Naveh D, Kronik L, Tiago ML, Beckman SP, Chelikowsky JR. Real-space pseudopotential method for first principles calculations of general periodic and partially periodic systems Physical Review B - Condensed Matter and Materials Physics. 78. DOI: 10.1103/Physrevb.78.075109 |
0.366 |
|
| 2008 |
Magid I, Burstein L, Seitz O, Segev L, Kronik L, Rosenwaks Y. Electronic Characterization of Si(100)-Bound Alkyl Monolayers Using Kelvin Probe Force Microscopy Journal of Physical Chemistry C. 112: 7145-7150. DOI: 10.1021/Jp709973D |
0.633 |
|
| 2007 |
Guliamov O, Frenkel AI, Menard LD, Nuzzo RG, Kronik L. Tangential ligand-induced strain in icosahedral Au13. Journal of the American Chemical Society. 129: 10978-9. PMID 17705481 DOI: 10.1021/Ja0725706 |
0.598 |
|
| 2007 |
Guliamov O, Kronik L, Martin JM. Polarizability of small carbon cluster anions from first principles. The Journal of Physical Chemistry. A. 111: 2028-32. PMID 17388282 DOI: 10.1021/Jp068443Y |
0.658 |
|
| 2007 |
Deutsch D, Natan A, Shapira Y, Kronik L. Electrostatic properties of adsorbed polar molecules: opposite behavior of a single molecule and a molecular monolayer. Journal of the American Chemical Society. 129: 2989-97. PMID 17305341 DOI: 10.1021/Ja068417D |
0.76 |
|
| 2007 |
Gueta R, Natan A, Addadi L, Weiner S, Refson K, Kronik L. Local atomic order and infrared spectra of biogenic calcite. Angewandte Chemie (International Ed. in English). 46: 291-4. PMID 17124701 DOI: 10.1002/Anie.200603327 |
0.587 |
|
| 2007 |
Woicik JC, Yekutiel M, Nelson EJ, Jacobson N, Pfalzer P, Klemm M, Horn S, Kronik L. Chemical bonding and many-body effects in site-specific x-ray photoelectron spectra of corundum V2 O3 Physical Review B - Condensed Matter and Materials Physics. 76. DOI: 10.1103/Physrevb.76.165101 |
0.369 |
|
| 2007 |
Naveh D, Kronik L, Tiago ML, Chelikowsky JR. Real-space pseudopotential method for spin-orbit coupling within density functional theory Physical Review B - Condensed Matter and Materials Physics. 76. DOI: 10.1103/Physrevb.76.153407 |
0.35 |
|
| 2007 |
Sitt A, Kronik L, Ismail-Beigi S, Chelikowsky JR. Excited-state forces within time-dependent density-functional theory: A frequency-domain approach Physical Review a - Atomic, Molecular, and Optical Physics. 76. DOI: 10.1103/Physreva.76.054501 |
0.366 |
|
| 2007 |
Natan A, Kronik L, Haick H, Tung RT. Electrostatic properties of ideal and non-ideal polar organic monolayers: Implications for electronic devices Advanced Materials. 19: 4103-4117. DOI: 10.1002/Adma.200701681 |
0.368 |
|
| 2006 |
Amy F, Chan CK, Zhao W, Hyung J, Ono M, Sueyoshi T, Kera S, Nesher G, Salomon A, Segev L, Seitz O, Shpaisman H, Schöll A, Haeming M, Böcking T, ... ... Kronik L, et al. Radiation damage to alkyl chain monolayers on semiconductor substrates investigated by electron spectroscopy. The Journal of Physical Chemistry. B. 110: 21826-32. PMID 17064146 DOI: 10.1021/Jp063614K |
0.754 |
|
| 2006 |
Segev L, Salomon A, Natan A, Cahen D, Kronik L, Amy F, Chan CK, Kahn A. Electronic structure of Si(111)-bound alkyl monolayers: Theory and experiment Physical Review B - Condensed Matter and Materials Physics. 74. DOI: 10.1103/Physrevb.74.165323 |
0.66 |
|
| 2006 |
Dori N, Menon M, Kilian L, Sokolowski M, Kronik L, Umbach E. Valence electronic structure of gas-phase 3,4,9,10-perylene tetracarboxylic acid dianhydride: Experiment and theory Physical Review B - Condensed Matter and Materials Physics. 73. DOI: 10.1103/Physrevb.73.195208 |
0.409 |
|
| 2006 |
Kümmel S, Kronik L. Hyperpolarizabilities of molecular chains: A real-space approach Computational Materials Science. 35: 321-326. DOI: 10.1016/J.Commatsci.2004.09.057 |
0.397 |
|
| 2006 |
Natan A, Kronik L, Shapira Y. Computing surface dipoles and potentials of self-assembled monolayers from first principles Applied Surface Science. 252: 7608-7613. DOI: 10.1016/J.Apsusc.2006.03.052 |
0.356 |
|
| 2006 |
Naveh D, Kronik L. Spin‐polarized electronic structure of Mn–IV–V2 chalcopyrites Physica Status Solidi B-Basic Solid State Physics. 243: 2159-2163. DOI: 10.1002/Pssb.200666806 |
0.392 |
|
| 2006 |
Kronik L, Makmal A, Tiago ML, Alemany MMG, Jain M, Huang X, Saad Y, Chelikowsky JR. PARSEC - The pseudopotential algorithm for real-space electronic structure calculations: Recent advances and novel applications to nano-structures Physica Status Solidi (B) Basic Research. 243: 1063-1079. DOI: 10.1002/Pssb.200541463 |
0.773 |
|
| 2005 |
Guliamov O, Kronik L, Jackson KA. Photoelectron spectroscopy as a structural probe of intermediate size clusters. The Journal of Chemical Physics. 123: 204312. PMID 16351261 DOI: 10.1063/1.2116907 |
0.609 |
|
| 2005 |
Huang X, Makmal A, Chelikowsky JR, Kronik L. Size-dependent spintronic properties of dilute magnetic semiconductor nanocrystals. Physical Review Letters. 94: 236801. PMID 16090492 DOI: 10.1103/Physrevlett.94.236801 |
0.794 |
|
| 2004 |
Kümmel S, Kronik L, Perdew JP. Electrical response of molecular chains from density functional theory. Physical Review Letters. 93: 213002. PMID 15601005 DOI: 10.1103/Physrevlett.93.213002 |
0.668 |
|
| 2004 |
Alemany MMG, Jain M, Kronik L, Chelikowsky JR. Real-space pseudopotential method for computing the electronic properties of periodic systems Physical Review B. 69. DOI: 10.1103/Physrevb.69.075101 |
0.349 |
|
| 2004 |
Kronik L, Jain M, Chelikowsky JR. Electronic structure and spin polarization of MnGaP Applied Physics Letters. 85: 2014-2016. DOI: 10.1063/1.1787895 |
0.337 |
|
| 2003 |
Chelikowsky JR, Kronik L, Vasiliev I. Time-dependent density-functional calculations for the optical spectra of molecules, clusters, and nanocrystals Journal of Physics Condensed Matter. 15. DOI: 10.1088/0953-8984/15/35/201 |
0.414 |
|
| 2003 |
Chelikowsky JR, Kronik L, Vasiliev I, Jain M, Saad Y. Using real space pseudopotentials for the electronic structure problem Handbook of Numerical Analysis. 10: 613-637. DOI: 10.1016/S1570-8659(03)10010-5 |
0.382 |
|
| 2003 |
Russell Burdick W, Saad Y, Kronik L, Vasiliev I, Jain M, Chelikowsky JR. Parallel implementation of time-dependent density functional theory Computer Physics Communications. 156: 22-42. DOI: 10.1016/S0010-4655(03)00413-2 |
0.361 |
|
| 2002 |
Kronik L, Fromherz R, Ko E, Ganteför G, Chelikowsky JR. Highest electron affinity as a predictor of cluster anion structures. Nature Materials. 1: 49-53. PMID 12618849 DOI: 10.1038/Nmat704 |
0.616 |
|
| 2002 |
Woicik JC, Nelson EJ, Kronik L, Jain M, Chelikowsky JR, Heskett D, Berman LE, Herman GS. Hybridization and bond-orbital components in site-specific X-ray photoelectron spectra of rutile TiO2. Physical Review Letters. 89: 077401. PMID 12190555 DOI: 10.1103/Physrevlett.89.077401 |
0.608 |
|
| 2002 |
Kronik L, Jain M, Chelikowsky JR. Electronic structure and spin polarization ofMnxGa1−xN Physical Review B. 66. DOI: 10.1103/Physrevb.66.041203 |
0.345 |
|
| 2001 |
Troparevsky MC, Kronik L, Chelikowsky JR. Ab initioabsorption spectra of CdSe clusters Physical Review B. 65. DOI: 10.1103/Physrevb.65.033311 |
0.402 |
|
| 2001 |
Jain M, Kronik L, Chelikowsky J, Godlevsky V. Electronic structure and spin polarization of Mn-containing dilute magnetic III-V semiconductors Physical Review B. 64. DOI: 10.1103/Physrevb.64.245205 |
0.354 |
|
| 2001 |
Muñoz M, Pollak FH, Kahn M, Ritter D, Kronik L, Cohen GM. Burstein-Moss shift ofn-dopedIn0.53Ga0.47As/InP Physical Review B. 63. DOI: 10.1103/Physrevb.63.233302 |
0.301 |
|
| 2001 |
Woicik JC, Nelson EJ, Kendelewicz T, Pianetta P, Jain M, Kronik L, Chelikowsky JR. Partial density of occupied valence states by x-ray standing waves and high-resolution photoelectron spectroscopy Physical Review B - Condensed Matter and Materials Physics. 63: 414031-414034. DOI: 10.1103/Physrevb.63.041403 |
0.335 |
|
| 2001 |
Kronik L, Vasiliev I, Jain M, Chelikowsky JR. Ab initio structures and polarizabilities of sodium clusters Journal of Chemical Physics. 115: 4322-4332. DOI: 10.1063/1.1390524 |
0.35 |
|
| 2001 |
Kronik L, Shapira Y. Surface photovoltage spectroscopy of semiconductor structures: at the crossroads of physics, chemistry and electrical engineering Surface and Interface Analysis. 31: 954-965. DOI: 10.1002/Sia.1132 |
0.342 |
|
| 2000 |
Kronik L, Vasiliev I, Chelikowsky JR. Ab initio calculations for structure and temperature effects on the polarizabilities of Nan (n≤20) clusters Physical Review B - Condensed Matter and Materials Physics. 62: 9992-9995. DOI: 10.1103/Physrevb.62.9992 |
0.346 |
|
| 2000 |
Shalish I, Kronik L, Segal G, Shapira Y, Eizenberg M, Salzman J. Yellow luminescence and Fermi level pinning in GaN layers Applied Physics Letters. 77: 987-989. DOI: 10.1063/1.1288813 |
0.303 |
|
| 1999 |
Shalish I, Kronik L, Segal G, Rosenwaks Y, Shapira Y, Tisch U, Salzman J. Yellow luminescence and related deep levels in unintentionally doped GaN films Physical Review B. 59: 9748-9751. DOI: 10.1103/Physrevb.59.9748 |
0.352 |
|
| 1999 |
Cohen R, Kronik L, Shanzer A, Cahen D, Liu A, Rosenwaks Y, Lorenz JK, Ellis AB. Molecular control over semiconductor surface electronic properties: Dicarboxylic acids on CdT'e, CdsE, GaAs, and InP Journal of the American Chemical Society. 121: 10545-10553. DOI: 10.1021/Ja9906150 |
0.374 |
|
| 1999 |
Kronik L, Shapira Y. Surface photovoltage phenomena: theory, experiment, and applications Surface Science Reports. 37: 1-206. DOI: 10.1016/S0167-5729(99)00002-3 |
0.304 |
|
| 1996 |
Fefer E, Kronik L, Leibovitch M, Shapira Y, Riedl W. In-situ monitoring of surface chemistry and charge transfer at semiconductor surfaces Applied Surface Science. 61-67. DOI: 10.1016/S0169-4332(96)00121-3 |
0.304 |
|
| 1995 |
Leibovitch M, Kronik L, Fefer E, Korobov V, Shapira Y. Constructing band diagrams of semiconductor heterojunctions Applied Physics Letters. 66: 457-459. DOI: 10.1063/1.114055 |
0.311 |
|
| 1995 |
Kronik L, Leibovitch M, Fefer E, Burstein L, Shapira Y. Quantitative surface photovoltage spectroscopy of semiconductor interfaces Journal of Electronic Materials. 24: 379-385. DOI: 10.1007/Bf02659702 |
0.32 |
|
| 1995 |
Kronik L, Leibovitch M, Fefer E, Korobov V, Shapira Y. Electronic characterization of heterojunctions by surface potential monitoring Journal of Electronic Materials. 24: 893-901. DOI: 10.1007/Bf02653338 |
0.367 |
|
| 1993 |
Kronik L, Shapira Y. New approach to quantitative surface photovoltage spectroscopy analysis Journal of Vacuum Science and Technology. 11: 3081-3084. DOI: 10.1116/1.578301 |
0.319 |
|
| Show low-probability matches. |