Year |
Citation |
Score |
2022 |
George J, Petretto G, Naik A, Esters M, Jackson AJ, Nelson R, Dronskowski R, Rignanese GM, Hautier G. Automated Bonding Analysis with Crystal Orbital Hamilton Populations. Chempluschem. e202200246. PMID 35946984 DOI: 10.1002/cplu.202200246 |
0.647 |
|
2022 |
George J, Petretto G, Naik A, Esters M, Jackson AJ, Nelson R, Dronskowski R, Rignanese GM, Hautier G. Automated Bonding Analysis with Crystal Orbital Hamilton Populations. Chempluschem. e202200123. PMID 35762686 DOI: 10.1002/cplu.202200123 |
0.656 |
|
2021 |
Markov M, Alaerts L, Miranda HPC, Petretto G, Chen W, George J, Bousquet E, Ghosez P, Rignanese GM, Hautier G. Ferroelectricity and multiferroicity in anti-Ruddlesden-Popper structures. Proceedings of the National Academy of Sciences of the United States of America. 118. PMID 33893238 DOI: 10.1073/pnas.2026020118 |
0.554 |
|
2020 |
Waroquiers D, George J, Horton M, Schenk S, Persson KA, Rignanese GM, Gonze X, Hautier G. ChemEnv: a fast and robust coordination environment identification tool. Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials. 76: 683-695. PMID 32831287 DOI: 10.1107/S2052520620007994 |
0.601 |
|
2020 |
George J, Hautier G, Bartók AP, Csányi G, Deringer VL. Combining phonon accuracy with high transferability in Gaussian approximation potential models. The Journal of Chemical Physics. 153: 044104. PMID 32752705 DOI: 10.1063/5.0013826 |
0.582 |
|
2020 |
Nelson R, Ertural C, George J, Deringer VL, Hautier G, Dronskowski R. LOBSTER: Local orbital projections, atomic charges, and chemical-bonding analysis from projector-augmented-wave-based density-functional theory. Journal of Computational Chemistry. PMID 32531113 DOI: 10.1002/Jcc.26353 |
0.657 |
|
2020 |
George J, Waroquiers D, Di Stefano D, Petretto G, Rignanese GM, Hautier G. The limited predictive power of the Pauling rules. Angewandte Chemie (International Ed. in English). PMID 32065708 DOI: 10.1002/Anie.202000829 |
0.579 |
|
2019 |
Wang R, George J, Potts SK, Kremer M, Dronskowski R, Englert U. The many flavours of halogen bonds - message from experimental electron density and Raman spectroscopy. Acta Crystallographica. Section C, Structural Chemistry. 75: 1190-1201. PMID 31484805 DOI: 10.1107/S205322961901132X |
0.504 |
|
2019 |
George J, Waroquiers D, Stefano DD, Rignanese G, Hautier G. Reassessing Pauling's rules Acta Crystallographica Section A. 75. DOI: 10.1107/S2053273319093471 |
0.518 |
|
2019 |
Mroz D, George J, Kremer M, Wang R, Englert U, Dronskowski R. A new tool for validating theoretically derived anisotropic displacement parameters with experiment: directionality of prolate displacement ellipsoids Crystengcomm. 21: 6396-6404. DOI: 10.1039/C9Ce00794F |
0.43 |
|
2019 |
Chen W, George J, Varley JB, Rignanese G, Hautier G. High-throughput computational discovery of In2Mn2O7 as a high Curie temperature ferromagnetic semiconductor for spintronics Npj Computational Materials. 5. DOI: 10.1038/s41524-019-0208-x |
0.497 |
|
2019 |
Ma Z, Jaworski A, George J, Rokicinska A, Thersleff T, Budnyak TM, Hautier G, Pell AJ, Dronskowski R, Kuśtrowski P, Slabon A. Exploring the Origins of Improved Photocurrent by Acidic Treatment for Quaternary Tantalum-Based Oxynitride Photoanodes on the Example of CaTaO2N The Journal of Physical Chemistry C. 124: 152-160. DOI: 10.1021/Acs.Jpcc.9B09838 |
0.692 |
|
2018 |
Möller A, George J, Dronskowski R. First Full Structural Characterization of Chloro Formamidinium Salts Zeitschrift FüR Anorganische Und Allgemeine Chemie. 644: 1485-1491. DOI: 10.1002/Zaac.201800164 |
0.462 |
|
2017 |
George J, Wang R, Englert U, Dronskowski R. Lattice thermal expansion and anisotropic displacements in urea, bromomalonic aldehyde, pentachloropyridine, and naphthalene. The Journal of Chemical Physics. 147: 074112. PMID 28830176 DOI: 10.1063/1.4985886 |
0.489 |
|
2017 |
Deringer VL, George J, Dronskowski R, Englert U. Plane-Wave Density Functional Theory Meets Molecular Crystals: Thermal Ellipsoids and Intermolecular Interactions. Accounts of Chemical Research. PMID 28467707 DOI: 10.1021/Acs.Accounts.7B00067 |
0.574 |
|
2017 |
George J, Dronskowski R. Tetrel Bonds in Infinite Molecular Chains by Electronic-Structure Theory and Their Role for Crystal Stabilization. The Journal of Physical Chemistry. A. PMID 28106396 DOI: 10.1021/Acs.Jpca.6B12732 |
0.545 |
|
2017 |
Görne A, George J, van Leusen J, Dronskowski R. Synthesis, Crystal Structure, Polymorphism, and Magnetism of Eu(CN3H4)2 and First Evidence of EuC(NH)3 Inorganics. 5: 10. DOI: 10.3390/INORGANICS5010010 |
0.403 |
|
2016 |
George J, Deringer VL, Wang A, Müller P, Englert U, Dronskowski R. Lattice thermal expansion and anisotropic displacements in The Journal of Chemical Physics. 145: 234512. PMID 28010090 DOI: 10.1063/1.4972068 |
0.525 |
|
2016 |
Deringer VL, Wang A, George J, Dronskowski R, Englert U. Anisotropic thermal motion in transition-metal carbonyls from experiments and ab initio theory. Dalton Transactions (Cambridge, England : 2003). PMID 27513896 DOI: 10.1039/C6Dt02487D |
0.485 |
|
2016 |
Görne AL, George J, van Leusen J, Dück G, Jacobs P, Chogondahalli Muniraju NK, Dronskowski R. Ammonothermal Synthesis, Crystal Structure, and Properties of the Ytterbium(II) and Ytterbium(III) Amides and the First Two Rare-Earth-Metal Guanidinates, YbC(NH)3 and Yb(CN3H4)3. Inorganic Chemistry. PMID 27248288 DOI: 10.1021/Acs.Inorgchem.6B00736 |
0.534 |
|
2016 |
Motohashi T, Kimura M, Masubuchi Y, Kikkawa S, George J, Dronskowski R. Significant Lanthanoid Substitution Effect on the Redox Reactivity of the Oxygen-Storage Material BaYMn2O5+δ Chemistry of Materials. 28: 4409-4414. DOI: 10.1021/Acs.Chemmater.6B01501 |
0.465 |
|
2015 |
Missong R, George J, Houben A, Hoelzel M, Dronskowski R. Synthesis, Structure, and Properties of SrC(NH)3 , a Nitrogen-Based Carbonate Analogue with the Trinacria Motif. Angewandte Chemie (International Ed. in English). 54: 12171-5. PMID 26308739 DOI: 10.1002/Anie.201507113 |
0.545 |
|
2015 |
George J, Reimann C, Deringer VL, Bredow T, Dronskowski R. On the DFT ground state of crystalline bromine and iodine. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 16: 728-32. PMID 25639654 DOI: 10.1002/Cphc.201402890 |
0.514 |
|
2015 |
Liu X, George J, Maintz S, Dronskowski R. β-CuN3: the overlooked ground-state polymorph of copper azide with heterographene-like layers. Angewandte Chemie (International Ed. in English). 54: 1954-9. PMID 25522245 DOI: 10.1002/Anie.201410987 |
0.5 |
|
2015 |
George J, Deringer VL, Dronskowski R. Dimensionality of intermolecular interactions in layered crystals by electronic-structure theory and geometric analysis. Inorganic Chemistry. 54: 956-62. PMID 25363246 DOI: 10.1021/Ic5023328 |
0.518 |
|
2015 |
George J, Wang A, Deringer VL, Wang R, Dronskowski R, Englert U. Anisotropic displacement parameters from dispersion-corrected DFT methods and their experimental validation by temperature-dependent X-ray diffraction Crystengcomm. 17: 7414-7422. DOI: 10.1039/C5Ce01219H |
0.53 |
|
2015 |
Li Y, George J, Liu X, Dronskowski R. Synthesis, structure determination and electronic structure of magnesium nitride chloride, Mg2NCl Zeitschrift Fur Anorganische Und Allgemeine Chemie. 641: 266-269. DOI: 10.1002/Zaac.201400496 |
0.54 |
|
2015 |
George J, Reimann C, Deringer VL, Bredow T, Dronskowski R. Inside Back Cover: On the DFT Ground State of Crystalline Bromine and Iodine (ChemPhysChem 4/2015) Chemphyschem. 16: 887-887. DOI: 10.1002/Cphc.201590021 |
0.423 |
|
2015 |
Missong R, George J, Houben A, Hoelzel M, Dronskowski R. Synthese, Struktur und Eigenschaften von SrC(NH)3, einem stickstoffbasierten Carbonatanalogon mit Trinacriamotiv Angewandte Chemie. 127: 12339-12343. DOI: 10.1002/Ange.201507113 |
0.401 |
|
2014 |
George J, Deringer VL, Dronskowski R. Cooperativity of halogen, chalcogen, and pnictogen bonds in infinite molecular chains by electronic structure theory. The Journal of Physical Chemistry. A. 118: 3193-200. PMID 24712662 DOI: 10.1021/Jp5015302 |
0.542 |
|
2014 |
Deringer VL, Pan F, George J, Müller P, Dronskowski R, Englert U. Intermolecular contacts in bromomalonic aldehyde - Intuition, experiment, and theory Crystengcomm. 16: 135-138. DOI: 10.1039/C3Ce41779D |
0.52 |
|
2014 |
Liu X, George J, Maintz S, Dronskowski R. β-CuN3: die übersehene Grundzustandsmodifikation des Kupferazids mit heterographenartigen Schichten Angewandte Chemie. 127: 1977-1982. DOI: 10.1002/Ange.201410987 |
0.407 |
|
2013 |
Gilleßen M, Lumeij M, George J, Stoffel R, Motohashi T, Kikkawa S, Dronskowski R. Correction to Oxygen-Storage Materials BaYMn2O5+δ from the Quantum-Chemical Point of View Chemistry of Materials. 25: 4460-4460. DOI: 10.1021/Cm403293W |
0.424 |
|
2012 |
Gilleßen M, Lumeij M, George J, Stoffel R, Motohashi T, Kikkawa S, Dronskowski R. Oxygen-storage materials BaYMn 2O 5+δ from the quantum-chemical point of view Chemistry of Materials. 24: 1910-1916. DOI: 10.1021/Cm300655Y |
0.497 |
|
Show low-probability matches. |