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Janine George - Publications

Affiliations: 
Université Catholique de Louvain (Belgium) 
Area:
computational chemistry, solid-state chemistry, solid-state physics, materials science
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34 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

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  0.646
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  0.655
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  0.553
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  0.6
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  0.578
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  0.503
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  0.429
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  0.496
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  0.691
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  0.488
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  0.573
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  0.402
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  0.464
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  0.513
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  0.517
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  0.529
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  0.539
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  0.422
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  0.519
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
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