Richard Dronskowski, Ph.D. - Publications

Affiliations: 
Rheinisch-Westfaelische Technische Hochschule, Aachen, NRW, Germany 
Area:
Solid State and Quantum Chemistry
Website:
http://www.ssc.rwth-aachen.de/print.php?menuID=2

226 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
2019 Mann M, Mroz D, Henrich L, Houben A, van Leusen J, Dronskowski R. Syntheses and Characterization of Diammine-Nickel/Cobalt(II)-Bisdicyanamide M(NH)[N(CN)] with M = Ni and Co. Inorganic Chemistry. PMID 31185550 DOI: 10.1021/acs.inorgchem.9b00448  0.68
2019 Ma Z, Thersleff T, Görne A, Cordes N, Liu Y, Jakobi S, Rokicinska A, Schichtl Z, Coridan RH, Kuśtrowski P, Schnick W, Dronskowski R, Slabon A. A Quaternary Core-Shell Oxynitride Nanowire Photoanode Containing a Hole-Extraction Gradient for Photoelectrochemical Water Oxidation. Acs Applied Materials & Interfaces. PMID 31067020 DOI: 10.1021/acsami.9b02483  0.36
2019 Corkett AJ, Chen Z, Bogdanovski D, Slabon A, Dronskowski R. Band Gap Tuning in Bismuth Oxide Carbodiimide BiONCN. Inorganic Chemistry. PMID 30990029 DOI: 10.1021/acs.inorgchem.9b00670  0.36
2019 Benz S, Missong R, Ogutu G, Stoffel RP, Englert U, Torii S, Miao P, Kamiyama T, Dronskowski R. Ammonothermal Synthesis, X-Ray and Time-of-Flight Neutron Crystal-Structure Determination, and Vibrational Properties of Barium Guanidinate, Ba(CNH). Chemistryopen. 8: 327-332. PMID 30915268 DOI: 10.1002/open.201900068  0.68
2019 Sun X, Li X, Yang J, Xi J, Nelson R, Ertural C, Dronskowski R, Liu W, Snyder GJ, Singh DJ, Zhang W. Achieving band convergence by tuning the bonding ionicity in n-type Mg Sb. Journal of Computational Chemistry. PMID 30889285 DOI: 10.1002/jcc.25822  0.36
2018 Li WL, Ertural C, Bogdanovski D, Li J, Dronskowski R. Chemical Bonding of Crystalline LnB (Ln = La-Lu) and Its Relationship with LnB Gas-Phase Complexes. Inorganic Chemistry. PMID 30260645 DOI: 10.1021/acs.inorgchem.8b02263  0.36
2018 Küpers M, Konze PM, Meledin A, Mayer J, Englert U, Wuttig M, Dronskowski R. Controlled Crystal Growth of Indium Selenide, InSe, and the Crystal Structures of α-InSe. Inorganic Chemistry. PMID 30153016 DOI: 10.1021/acs.inorgchem.8b01950  0.68
2018 Sougrati MT, Arayamparambil JJ, Liu X, Mann M, Slabon A, Stievano L, Dronskowski R. Carbodiimides as energy materials: which directions for a reasonable future? Dalton Transactions (Cambridge, England : 2003). PMID 30027198 DOI: 10.1039/c8dt01846d  0.36
2018 Khazaei M, Ranjbar A, Esfarjani K, Bogdanovski D, Dronskowski R, Yunoki S. Insights into exfoliation possibility of MAX phases to MXenes. Physical Chemistry Chemical Physics : Pccp. PMID 29557432 DOI: 10.1039/C7CP08645H  0.36
2018 Davi M, Mann M, Ma Z, Schrader F, Drichel A, Budnyk S, Rokicinska A, Kustrowski P, Dronskowski R, Slabon A. An MnNCN-Derived Electrocatalyst for CuWOPhotoanodes. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 29554428 DOI: 10.1021/acs.langmuir.8b00149  0.36
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  0.68
2017 Jacobs P, Houben A, Schweika W, Tchougréeff AL, Dronskowski R. Instrumental resolution as a function of scattering angle and wavelength as exemplified for the POWGEN instrument. Journal of Applied Crystallography. 50: 866-875. PMID 28656041 DOI: 10.1107/S1600576717005398  0.68
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  0.68
2017 Dong X, Oganov AR, Goncharov AF, Stavrou E, Lobanov S, Saleh G, Qian GR, Zhu Q, Gatti C, Deringer VL, Dronskowski R, Zhou XF, Prakapenka VB, Konôpková Z, Popov IA, et al. A stable compound of helium and sodium at high pressure. Nature Chemistry. 9: 440-445. PMID 28430195 DOI: 10.1038/nchem.2716  0.64
2017 Tchougreeff AL, Stoffel R, Houben A, Jacobs P, Dronskowski R, Pregelj M, Zorko A, Arcon D, Zaharko O. Atomic motions in the layered copper pseudochalcogenide CuNCN indicative of a quantum spin-liquid scenario. Journal of Physics. Condensed Matter : An Institute of Physics Journal. PMID 28430106 DOI: 10.1088/1361-648X/aa6e73  0.68
2017 Dierkes H, van Leusen J, Bogdanovski D, Dronskowski R. Synthesis, Crystal Structure, Magnetic Properties, and Stability of the Manganese-Rich "Mn3AlC" κ Phase. Inorganic Chemistry. PMID 28094520 DOI: 10.1021/acs.inorgchem.6b02816  0.36
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  0.68
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  0.68
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  0.32
2016 Sougrati MT, Darwiche A, Liu X, Mahmoud A, Hermann RP, Jouen S, Monconduit L, Dronskowski R, Stievano L. Transition-Metal Carbodiimides as Molecular Negative Electrode Materials for Lithium- and Sodium-Ion Batteries with Excellent Cycling Properties. Angewandte Chemie (International Ed. in English). PMID 26989882 DOI: 10.1002/anie.201600098  1
2016 Maintz S, Deringer VL, Tchougréeff AL, Dronskowski R. LOBSTER: A tool to extract chemical bonding from plane-wave based DFT. Journal of Computational Chemistry. PMID 26914535 DOI: 10.1002/jcc.24300  1
2016 Zurhelle AF, Deringer VL, Stoffel RP, Dronskowski R. Ab initio lattice dynamics and thermochemistry of layered bismuth telluride (Bi2Te3). Journal of Physics. Condensed Matter : An Institute of Physics Journal. 28: 115401. PMID 26894844 DOI: 10.1088/0953-8984/28/11/115401  1
2016 Deringer VL, Englert U, Dronskowski R. Nature, Strength, and Cooperativity of the Hydrogen-Bonding Network in alpha-Chitin. Biomacromolecules. PMID 26828306 DOI: 10.1021/acs.biomac.5b01653  0.68
2016 Eguía-Barrio A, Castillo-Martínez E, Liu X, Dronskowski R, Armand M, Rojo T. Carbodiimides: New materials applied as anode electrodes for sodium and lithium ion batteries Journal of Materials Chemistry A. 4: 1608-1611. DOI: 10.1039/c5ta08945j  1
2016 Becker N, Dronskowski R. A first-principles study on new high-pressure metastable polymorphs of MoO2 Journal of Solid State Chemistry. 237: 404-410. DOI: 10.1016/j.jssc.2016.03.002  1
2016 Tchougréeff AL, Soudackov AV, Van Leusen J, Kögerler P, Becker KD, Dronskowski R. Effective hamiltonian crystal field: Present status and applications to iron compounds International Journal of Quantum Chemistry. 116: 282-294. DOI: 10.1002/qua.25016  1
2015 Deringer VL, Stoffel RP, Wuttig M, Dronskowski R. Vibrational properties and bonding nature of SbSeand their implications for chalcogenide materials. Chemical Science. 6: 5255-5262. PMID 29449929 DOI: 10.1039/c5sc00825e  0.64
2015 Amano S, Bogdanovski D, Yamane H, Terauchi M, Dronskowski R. ε-TiO, a Novel Stable Polymorph of Titanium Monoxide. Angewandte Chemie (International Ed. in English). PMID 26666574 DOI: 10.1002/anie.201510479  1
2015 Jacobs P, Houben A, Schweika W, Tchougréeff AL, Dronskowski R. A Rietveld refinement method for angular- and wavelength-dispersive neutron time-of-flight powder diffraction data. Journal of Applied Crystallography. 48: 1627-1636. PMID 26664340 DOI: 10.1107/S1600576715016520  1
2015 Deringer VL, Dronskowski R. From Atomistic Surface Chemistry to Nanocrystals of Functional Chalcogenides. Angewandte Chemie (International Ed. in English). PMID 26563578 DOI: 10.1002/anie.201506874  1
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  1
2015 Scholz T, Dronskowski R. Improved Ammonolytic Synthesis, Structure Determination, Electronic Structure, and Magnetic Properties of the Solid Solution SnxFe4-xN (0 ≤ x ≤ 0.9). Inorganic Chemistry. 54: 8800-7. PMID 26287437 DOI: 10.1021/acs.inorgchem.5b01510  1
2015 Stoffel RP, Deringer VL, Simon RE, Hermann RP, Dronskowski R. A density-functional study on the electronic and vibrational properties of layered antimony telluride. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 27: 085402. PMID 25662735 DOI: 10.1088/0953-8984/27/8/085402  1
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  1
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  1
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  0.64
2015 Zhang W, Deringer VL, Dronskowski R, Mazzarello R, Ma E, Wuttig M. Density-functional theory guided advances in phase-change materials and memories Mrs Bulletin. 40: 856-864. DOI: 10.1557/mrs.2015.227  1
2015 Bachhuber F, Von Appen J, Dronskowski R, Schmidt P, Nilges T, Pfitzner A, Weihrich R. Van der Waals interactions in selected allotropes of phosphorus Zeitschrift Fur Kristallographie. 230: 107-115. DOI: 10.1515/zkri-2014-1800  1
2015 Deringer VL, Zhang W, Rausch P, Mazzarello R, Dronskowski R, Wuttig M. A chemical link between Ge-Sb-Te and In-Sb-Te phase-change materials Journal of Materials Chemistry C. 3: 9519-9523. DOI: 10.1039/c5tc02314a  1
2015 Deringer VL, Stoffel RP, Wuttig M, Dronskowski R. Vibrational properties and bonding nature of Sb2Se3 and their implications for chalcogenide materials Chemical Science. 6: 5255-5262. DOI: 10.1039/c5sc00825e  1
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  1
2015 Takayuki H, Yamane H, Becker N, Dronskowski R. Synthesis and crystal structure of Ba26B12Si5N27 containing [Si2] dumbbells Journal of Solid State Chemistry. 230: 390-396. DOI: 10.1016/j.jssc.2015.07.022  1
2015 Scholz T, Leineweber A, Dronskowski R. Comment on "High-temperature soft magnetic properties of antiperovskite nitrides ZnNFe3 and AlNFe3" by Yankun Fu, Shuai Lin, and Bosen Wang, J. Magn. Magn. Mater. 378 (2015) 54-58 Journal of Magnetism and Magnetic Materials. DOI: 10.1016/j.jmmm.2015.05.021  1
2015 Tokmachev AM, Tchougréeff AL, Dronskowski R. Benchmarks of graph invariants for hydrogen-bond networks in water clusters of different topology Theoretical Chemistry Accounts. 134. DOI: 10.1007/s00214-015-1720-9  1
2015 Widenmeyer M, Wessel C, Dronskowski R, Niewa R. V16N1.5: Metastable or Missing in the Binary Phase Diagram? Zeitschrift Fur Anorganische Und Allgemeine Chemie. 641: 2610-2616. DOI: 10.1002/zaac.201500620  1
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  1
2015 Song W, Zhang W, Von Appen J, Dronskowski R, Bleck W. κ-phase formation in Fe-Mn-Al-C austenitic steels Steel Research International. 86: 1161-1169. DOI: 10.1002/srin.201400587  1
2015 Deringer VL, Dronskowski R, Wuttig M. Microscopic Complexity in Phase-Change Materials and its Role for Applications Advanced Functional Materials. DOI: 10.1002/adfm.201500826  1
2014 Lüdtke T, Schmidt A, Göbel C, Fischer A, Becker N, Reimann C, Bredow T, Dronskowski R, Lerch M. Synthesis and crystal structure of δ-TaON, a metastable polymorph of tantalum oxide nitride. Inorganic Chemistry. 53: 11691-8. PMID 25309986 DOI: 10.1021/ic501726m  1
2014 von Appen J, Dronskowski R, Chakrabarty A, Hickel T, Spatschek R, Neugebauer J. Impact of Mn on the solution enthalpy of hydrogen in austenitic Fe-Mn alloys: a first-principles study. Journal of Computational Chemistry. 35: 2239-44. PMID 25250795 DOI: 10.1002/jcc.23742  1
2014 Bachhuber F, von Appen J, Dronskowski R, Schmidt P, Nilges T, Pfitzner A, Weihrich R. The extended stability range of phosphorus allotropes. Angewandte Chemie (International Ed. in English). 53: 11629-33. PMID 25196550 DOI: 10.1002/anie.201404147  1
2014 Deringer VL, Englert U, Dronskowski R. Covalency of hydrogen bonds in solids revisited. Chemical Communications (Cambridge, England). 50: 11547-9. PMID 25133929 DOI: 10.1039/c4cc04716h  1
2014 Deringer VL, Zhang W, Lumeij M, Maintz S, Wuttig M, Mazzarello R, Dronskowski R. Bonding nature of local structural motifs in amorphous GeTe. Angewandte Chemie (International Ed. in English). 53: 10817-20. PMID 25044627 DOI: 10.1002/anie.201404223  1
2014 Yamada T, Ikeda T, Stoffel RP, Deringer VL, Dronskowski R, Yamane H. Synthesis, crystal structure, and high-temperature phase transition of the novel plumbide Na2MgPb. Inorganic Chemistry. 53: 5253-9. PMID 24784165 DOI: 10.1021/ic500466w  1
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  1
2014 Lumeij M, Gillessen M, Bouwmeester H, Markus T, Barthel J, Roitsch S, Mayer J, Dronskowski R. Influence of the Ba2+/Sr2+ content and oxygen vacancies on the stability of cubic Ba(x)Sr(1-x)Co(0.75)Fe(0.25)O(3-δ). Physical Chemistry Chemical Physics : Pccp. 16: 1333-8. PMID 24322370 DOI: 10.1039/c3cp53958j  1
2014 Sawinski H, Dronskowski R. Synthesis and crystal structure of a "high-temperature" phase of Li[H2NC(O)NH], the missing alkali-metal ureate Zeitschrift Fur Naturforschung - Section B Journal of Chemical Sciences. 69: 651-654. DOI: 10.5560/ZNB.2014-4035  1
2014 Deringer VL, Stoffel RP, Dronskowski R. Vibrational and thermodynamic properties of GeSe in the quasiharmonic approximation Physical Review B - Condensed Matter and Materials Physics. 89. DOI: 10.1103/PhysRevB.89.094303  1
2014 Deringer VL, Dronskowski R. Ab initio study of molecular and atomic oxygen on GeTe(111) surfaces Journal of Applied Physics. 116. DOI: 10.1063/1.4901002  1
2014 Tchougréeff AL, Dronskowski R. Mean-field RVB ground states of lattice models of CuNCN Low Temperature Physics. 40: 73-83. DOI: 10.1063/1.4850536  1
2014 Herlitschke M, Tchougréeff AL, Soudackov AV, Klobes B, Stork L, Dronskowski R, Hermann RP. Magnetism and lattice dynamics of FeNCN compared to FeO New Journal of Chemistry. 38: 4670-4677. DOI: 10.1039/c4nj00097h  1
2014 Deringer VL, Stoffel RP, Togo A, Eck B, Meven M, Dronskowski R. Ab initio ORTEP drawings: A case study of N-based molecular crystals with different chemical nature Crystengcomm. 16: 10907-10915. DOI: 10.1039/c4ce01637h  1
2014 Deringer VL, Dronskowski R. Pauling's third rule beyond the bulk: Chemical bonding at quartz-type GeO2 surfaces Chemical Science. 5: 894-903. DOI: 10.1039/c3sc52743c  1
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  1
2014 Deringer VL, Stoffel RP, Dronskowski R. Thermochemical ranking and dynamic stability of TeO2 polymorphs from ab initio theory Crystal Growth and Design. 14: 871-878. DOI: 10.1021/cg401822g  1
2014 Esser M, Deringer VL, Wuttig M, Dronskowski R. Orbital mixing in solids as a descriptor for materials mapping Solid State Communications. 203: 31-34. DOI: 10.1016/j.ssc.2014.11.008  1
2014 Ungelenk J, Speldrich M, Dronskowski R, Feldmann C. Polyol-mediated low-temperature synthesis of crystalline tungstate nanoparticles MWO4 (M = Mn, Fe, Co, Ni, Cu, Zn) Solid State Sciences. 31: 62-69. DOI: 10.1016/j.solidstatesciences.2014.02.020  1
2014 Kang JH, Ingendahl T, von Appen J, Dronskowski R, Bleck W. Impact of short-range ordering on yield strength of high manganese austenitic steels Materials Science and Engineering A. 614: 122-128. DOI: 10.1016/j.msea.2014.07.016  1
2014 Timmerscheidt TA, Von Appen J, Dronskowski R. A molecular-dynamics study on carbon diffusion in face-centered cubic iron Computational Materials Science. 91: 235-239. DOI: 10.1016/j.commatsci.2014.04.054  1
2014 Pak L, Zibrowius B, Lumeij MW, Dronskowski R, Ruschewitz U. Crystal structures of homoleptic propynyloargentates a1[Ag(C3H3)2] with a1 = Ag, Li,Na solved and refined from X-ray powder diffraction data Zeitschrift Fur Anorganische Und Allgemeine Chemie. 640: 3127-3134. DOI: 10.1002/zaac.201400420  1
2014 Dierkes H, Dronskowski R. High-resolution powder neutron diffraction on Mn3C Zeitschrift Fur Anorganische Und Allgemeine Chemie. 640: 3148-3152. DOI: 10.1002/zaac.201400307  1
2014 Sawinski H, Dronskowski R. The first structurally characterized salts of deprotonated urea: M(CN 2H3O) with M = Na, K, Rb, and Cs Zeitschrift Fur Anorganische Und Allgemeine Chemie. 640: 846-850. DOI: 10.1002/zaac.201300598  1
2013 Jacobs P, Houben A, Tchougréeff AL, Dronskowski R. High-resolution neutron diffraction study of CuNCN: new evidence of structure anomalies at low temperature. The Journal of Chemical Physics. 139: 224707. PMID 24329082 DOI: 10.1063/1.4840555  1
2013 Tchougréeff AL, Dronskowski R. Low-temperature structure anomalies in CuNCN. Manifestations of RVB phase transitions? Journal of Physics. Condensed Matter : An Institute of Physics Journal. 25: 435602. PMID 24097193 DOI: 10.1088/0953-8984/25/43/435602  1
2013 Schneider SB, Seibald M, Deringer VL, Stoffel RP, Frankovsky R, Friederichs GM, Laqua H, Duppel V, Jeschke G, Dronskowski R, Schnick W. High-pressure synthesis and characterization of Li2Ca3[N2]3--an uncommon metallic diazenide with [N2]2- ions. Journal of the American Chemical Society. 135: 16668-79. PMID 24090235 DOI: 10.1021/ja408816t  1
2013 Maintz S, Deringer VL, Tchougréeff AL, Dronskowski R. Analytic projection from plane-wave and PAW wavefunctions and application to chemical-bonding analysis in solids. Journal of Computational Chemistry. 34: 2557-67. PMID 24022911 DOI: 10.1002/jcc.23424  1
2013 Sawinski PK, Deringer VL, Dronskowski R. Completing a family: LiCN3H4, the lightest alkali metal guanidinate. Dalton Transactions (Cambridge, England : 2003). 42: 15080-7. PMID 23999988 DOI: 10.1039/c3dt51820e  1
2013 Deringer VL, Lumeij M, Stoffel RP, Dronskowski R. Ab initio study of the high-temperature phase transition in crystalline GeO2. Journal of Computational Chemistry. 34: 2320-6. PMID 23873721 DOI: 10.1002/jcc.23387  1
2013 Deringer VL, Dronskowski R. Stability of pristine and defective SnTe surfaces from first principles. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 14: 3108-11. PMID 23868325 DOI: 10.1002/cphc.201300265  1
2013 Tchougréeff AL, Dronskowski R. Effective Hamiltonian Crystal Field as applied to magnetic exchange parameters in μ-oxo-bridged Cr(III) dimers. The Journal of Physical Chemistry. A. 117: 7980-8. PMID 23859351 DOI: 10.1021/jp404040c  1
2013 Lo W, Hu C, Lumeij M, Dronskowski R, Lovihayeem M, Ishal O, Jiang J. [Co(I)(CN)2(CO)3]-, a new discovery from an 80-year-old reaction. Chemical Communications (Cambridge, England). 49: 7382-4. PMID 23736999 DOI: 10.1039/c3cc43269f  1
2013 Bolvardi H, Emmerlich J, to Baben M, Music D, von Appen J, Dronskowski R, Schneider JM. Systematic study on the electronic structure and mechanical properties of X2BC (X = Mo, Ti, V, Zr, Nb, Hf, Ta and W). Journal of Physics. Condensed Matter : An Institute of Physics Journal. 25: 045501. PMID 23258257 DOI: 10.1088/0953-8984/25/4/045501  1
2013 Guo K, Rau D, Von Appen J, Prots Y, Schnelle W, Dronskowski R, Niewa R, Schwarz U. High pressure high-temperature behavior and magnetic properties of Fe 4N: Experiment and theory High Pressure Research. 33: 684-696. DOI: 10.1080/08957959.2013.809715  1
2013 Deringer VL, Dronskowski R. Stabilities and reconstructions of PbTe crystal surfaces from density-functional theory Journal of Physical Chemistry C. 117: 24455-24461. DOI: 10.1021/jp408699a  1
2013 Deringer VL, Dronskowski R. DFT studies of pristine hexagonal Ge1Sb2Te 4(0001), Ge2Sb2Te5(0001), and Ge1Sb4Te7(0001) surfaces Journal of Physical Chemistry C. 117: 15075-15089. DOI: 10.1021/jp401400k  1
2013 Boyko TD, Green RJ, Dronskowski R, Moewes A. Electronic band gap reduction in manganese carbodiimide: MnNCN Journal of Physical Chemistry C. 117: 12754-12761. DOI: 10.1021/jp4000768  1
2013 Deringer VL, Lumeij M, Stoffel RP, Dronskowski R. Mechanisms of atomic motion through crystalline GeTe Chemistry of Materials. 25: 2220-2226. DOI: 10.1021/cm400316j  1
2013 Sawinski PK, Meven M, Englert U, Dronskowski R. Single-crystal neutron diffraction study on guanidine, CN3H 5 Crystal Growth and Design. 13: 1730-1735. DOI: 10.1021/cg400054k  1
2013 Liu X, Wessel C, Pan F, Dronskowski R. Synthesis and single-crystal structure determination of the zinc nitride halides Zn2NX (X = Cl, Br, I) Journal of Solid State Chemistry. 203: 31-36. DOI: 10.1016/j.jssc.2013.03.046  1
2013 Jacobs P, Houben A, Senyshyn A, Müller P, Dronskowski R. The magnetic structure of Co(NCNH)2 as determined by (spin-polarized) neutron diffraction Journal of Solid State Chemistry. 202: 149-153. DOI: 10.1016/j.jssc.2013.03.039  1
2013 Wessel C, Dronskowski R. A first-principles study on chromium sesquioxide, Cr2O 3 Journal of Solid State Chemistry. 199: 149-153. DOI: 10.1016/j.jssc.2012.12.019  1
2013 Lintzen S, Von Appen J, Hallstedt B, Dronskowski R. The fe-mn enthalpy phase diagram from first principles Journal of Alloys and Compounds. 577: 370-375. DOI: 10.1016/j.jallcom.2013.06.006  1
2013 Song W, Von Appen J, Choi P, Dronskowski R, Raabe D, Bleck W. Atomic-scale investigation of ε and θ precipitates in bainite in 100Cr6 bearing steel by atom probe tomography and ab initio calculations Acta Materialia. 61: 7582-7590. DOI: 10.1016/j.actamat.2013.08.051  1
2013 Deringer VL, Dronskowski R. Computational Methods for Solids Comprehensive Inorganic Chemistry Ii (Second Edition): From Elements to Applications. 9: 59-87. DOI: 10.1016/B978-0-08-097774-4.00902-5  1
2013 Hoepfner V, Jacobs P, Sawinski PK, Houben A, Reim J, Dronskowski R. RbCN3H4 and CsCN3H4: A neutron powder and single-crystal x-ray diffraction study Zeitschrift Fur Anorganische Und Allgemeine Chemie. 639: 1232-1236. DOI: 10.1002/zaac.201300164  1
2013 Stoffel RP, Dronskowski R. First-principles investigations of the structural, vibrational and thermochemical properties of barium cerate - Another test case for density-functional theory Zeitschrift Fur Anorganische Und Allgemeine Chemie. 639: 1227-1231. DOI: 10.1002/zaac.201300134  1
2013 Tchougréeff AL, Tokmachev AM, Dronskowski R. Resonance theory of catalytic action of transition-metal complexes: Isomerization of quadricyclane to norbornadiene catalyzed by metal porphyrins International Journal of Quantum Chemistry. 113: 1833-1846. DOI: 10.1002/qua.24386  1
2012 Weber D, Wessel C, Reimann C, Schwickert C, Müller A, Ressler T, Pöttgen R, Bredow T, Dronskowski R, Lerch M. Anosovite-type V3O5: a new binary oxide of vanadium. Inorganic Chemistry. 51: 8524-9. PMID 22799767 DOI: 10.1021/ic301096d  1
2012 Sawinski PK, Dronskowski R. Solvothermal synthesis, crystal growth, and structure determination of sodium and potassium guanidinate. Inorganic Chemistry. 51: 7425-30. PMID 22712668 DOI: 10.1021/ic301005x  1
2012 Wessel C, Reimann C, Müller A, Weber D, Lerch M, Ressler T, Bredow T, Dronskowski R. Electronic structure and thermodynamics of V2O3 polymorphs. Journal of Computational Chemistry. 33: 2102-7. PMID 22696413 DOI: 10.1002/jcc.23046  1
2012 Deringer VL, Goerens C, Esters M, Dronskowski R, Fokwa BP. Chemical modeling of mixed occupations and site preferences in anisotropic crystal structures: case of complex intermetallic borides. Inorganic Chemistry. 51: 5677-85. PMID 22554062 DOI: 10.1021/ic300023t  1
2012 Yamada T, Deringer VL, Dronskowski R, Yamane H. Synthesis, crystal structure, chemical bonding, and physical properties of the ternary Na/Mg stannide Na2MgSn. Inorganic Chemistry. 51: 4810-6. PMID 22452644 DOI: 10.1021/ic300184d  1
2012 Hoepfner V, Deringer VL, Dronskowski R. Hydrogen-bonding networks from first-principles: exploring the guanidine crystal. The Journal of Physical Chemistry. A. 116: 4551-9. PMID 22420483 DOI: 10.1021/jp2106132  1
2012 Tang X, Speldrich M, Tchougréeff AL, Dronskowski R. Syntheses, crystal structures and magnetic properties of Cr(NCNH 2) 4Cl 2 and Mn(NCNH 2) 4Cl 2 Zeitschrift Fur Naturforschung - Section B Journal of Chemical Sciences. 67: 1205-1211. DOI: 10.5560/ZNB.2012-0234  1
2012 Tchougréeff AL, Liu X, Müller P, Van Beek W, Ruschewitz U, Dronskowski R. Structural study of CuNCN and its theoretical implications: A case of a resonating-valence-bond state? Journal of Physical Chemistry Letters. 3: 3360-3366. DOI: 10.1021/jz301722b  1
2012 Deringer VL, Lumeij M, Dronskowski R. Ab initio modeling of α-GeTe(111) surfaces Journal of Physical Chemistry C. 116: 15801-15811. DOI: 10.1021/jp304455z  1
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  1
2012 Deringer VL, Hoepfner V, Dronskowski R. Accurate hydrogen positions in organic crystals: Assessing a quantum-chemical aide Crystal Growth and Design. 12: 1014-1021. DOI: 10.1021/cg201505n  1
2012 Lumeij M, Koettgen J, Gilleßen M, Itoh T, Dronskowski R. Detailed insights into the structural properties and oxygen-pathways in orthorhombic Ba 0.5Sr 0.5Co 0.8Fe 0.2O 3-δ by electronic-structure theory Solid State Ionics. 222: 53-58. DOI: 10.1016/j.ssi.2012.07.004  1
2012 Houben A, Schweika W, Brückel T, Dronskowski R. New neutron-guide concepts and simulation results for the POWTEX instrument Nuclear Instruments and Methods in Physics Research, Section a: Accelerators, Spectrometers, Detectors and Associated Equipment. 680: 124-133. DOI: 10.1016/j.nima.2012.03.015  1
2012 Takahashi T, Burghaus J, Music D, Dronskowski R, Schneider JM. Elastic properties of γ′-Fe 4N probed by nanoindentation and ab initio calculation Acta Materialia. 60: 2054-2060. DOI: 10.1016/j.actamat.2011.12.051  1
2012 Maintz S, Eck B, Dronskowski R. cuVASP: A GPU-accelerated plane-wave electronic-structure code High Performance Computing in Science and Engineering 2011 - Transactions of the High Performance Computing Center, Stuttgart, Hlrs 2011. 201-205. DOI: 10.1007/978-3-642-23869-7-16  1
2012 Stoffel RP, Dronskowski R. Barium peroxide: A simple test case for first-principles investigations on the temperature dependence of solid-state vibrational frequencies Zeitschrift Fur Anorganische Und Allgemeine Chemie. 638: 1403-1406. DOI: 10.1002/zaac.201200163  1
2012 Wessel C, Dronskowski R. A first-principles study on the existence of niobium and tantalum sesquioxide Zeitschrift Fur Anorganische Und Allgemeine Chemie. 638: 2117-2122. DOI: 10.1002/zaac.201200091  1
2011 Zorko A, Jegli? P, Poto?nik A, Ar?on D, Bal?ytis A, Jagli?i? Z, Liu X, Tchougréeff AL, Dronskowski R. Unconventional magnetism in a nitrogen-containing analog of cupric oxide. Physical Review Letters. 107: 047208. PMID 21867041 DOI: 10.1103/PhysRevLett.107.047208  1
2011 Sinitskiy AV, Tchougréeff AL, Dronskowski R. Phenomenological model of spin crossover in molecular crystals as derived from atom-atom potentials. Physical Chemistry Chemical Physics : Pccp. 13: 13238-46. PMID 21698319 DOI: 10.1039/c1cp20440h  1
2011 Weber D, Stork A, Nakhal S, Wessel C, Reimann C, Hermes W, Müller A, Ressler T, Pöttgen R, Bredow T, Dronskowski R, Lerch M. Bixbyite-type V2O3--a metastable polymorph of vanadium sesquioxide. Inorganic Chemistry. 50: 6762-6. PMID 21667936 DOI: 10.1021/ic200799n  1
2011 Deringer VL, Tchougréeff AL, Dronskowski R. Crystal orbital Hamilton population (COHP) analysis as projected from plane-wave basis sets. The Journal of Physical Chemistry. A. 115: 5461-6. PMID 21548594 DOI: 10.1021/jp202489s  1
2011 Tchougréeff AL, Dronskowski R. d-d Spectra of transition-metal carbodiimides and hydrocyanamides as derived from many-particle effective Hamiltonian calculations. The Journal of Physical Chemistry. A. 115: 4547-52. PMID 21473626 DOI: 10.1021/jp201070w  1
2011 Hoepfner V, Dronskowski R. RbCN3H4: the first structurally characterized salt of a new class of guanidinate compounds. Inorganic Chemistry. 50: 3799-803. PMID 21395247 DOI: 10.1021/ic2002089  1
2011 Wessel M, Dronskowski R. A new phase in the binary iron nitrogen system?--The prediction of iron pernitride, FeN2. Chemistry (Weinheim An Der Bergstrasse, Germany). 17: 2598-603. PMID 21290440 DOI: 10.1002/chem.201003143  1
2011 Tokmachev AM, Dronskowski R. Hydrogen-bond networks in finite ice nanotubes. Journal of Computational Chemistry. 32: 99-105. PMID 20602444 DOI: 10.1002/jcc.21603  1
2011 Lamberts K, Kalf I, Ramadan A, Müller P, Dronskowski R, Englert U. Tunable crystal-to-crystal phase transition in a cadmium halide chain polymer Polymers. 3: 1151-1161. DOI: 10.3390/polym3031151  1
2011 Siewert M, Gruner ME, Dannenberg A, Chakrabarti A, Herper HC, Wuttig M, Barman SR, Singh S, Al-Zubi A, Hickel T, Neugebauer J, Gillessen M, Dronskowski R, Entel P. Designing shape-memory Heusler alloys from first-principles Applied Physics Letters. 99. DOI: 10.1063/1.3655905  1
2011 Krings M, Montana G, Dronskowski R, Wickleder C. α-SrNCN:Eu2+ - A novel efficient orange-emitting phosphor Chemistry of Materials. 23: 1694-1699. DOI: 10.1021/cm102262u  1
2011 Wessel C, Lumey MW, Dronskowski R. First-principles electronic-structure calculations on the stability and oxygen conductivity in Ba0.5Sr0.5Co0.8Fe0.2O3-δ Journal of Membrane Science. 366: 92-96. DOI: 10.1016/j.memsci.2010.09.046  1
2011 Burghaus J, Sougrati MT, Möchel A, Houben A, Hermann RP, Dronskowski R. Local ordering and magnetism in Ga 0.9Fe 3.1N Journal of Solid State Chemistry. 184: 2315-2321. DOI: 10.1016/j.jssc.2011.06.031  1
2011 Miura A, Lowe M, Leonard BM, Subban CV, Masubuchi Y, Kikkawa S, Dronskowski R, Hennig RG, Abrua HD, Disalvo FJ. Silver delafossite nitride, AgTaN2? Journal of Solid State Chemistry. 184: 7-11. DOI: 10.1016/j.jssc.2010.10.009  1
2011 Maintz S, Eck B, Dronskowski R. Speeding up plane-wave electronic-structure calculations using graphics-processing units Computer Physics Communications. 182: 1421-1427. DOI: 10.1016/j.cpc.2011.03.010  1
2011 Djurovic D, Hallstedt B, Von Appen J, Dronskowski R. Thermodynamic assessment of the Fe-Mn-C system Calphad: Computer Coupling of Phase Diagrams and Thermochemistry. 35: 479-491. DOI: 10.1016/j.calphad.2011.08.002  1
2011 Gebhardt T, Music D, Ekholm M, Abrikosov IA, Von Appen J, Dronskowski R, Wagner D, Mayer J, Schneider JM. Influence of chemical composition and magnetic effects on the elastic properties of fcc Fe-Mn alloys Acta Materialia. 59: 1493-1501. DOI: 10.1016/j.actamat.2010.11.013  1
2011 Tang X, Houben A, Liu X, Stork L, Dronskowski R. Crystal structure refinement of M(NCNH)2 (M = Fe, Co) based on combined neutron and X-ray diffraction data Zeitschrift Fur Anorganische Und Allgemeine Chemie. 637: 1089-1091. DOI: 10.1002/zaac.201100101  1
2011 Burghaus J, Kleemann J, Dronskowski R. The ternary nitrides In xFe 4-xN (0 ≤ x ≤ 0.8): Synthesis, magnetic properties, and theoretical considerations Zeitschrift Fur Anorganische Und Allgemeine Chemie. 637: 935-939. DOI: 10.1002/zaac.201000409  1
2011 Von Appen J, Dronskowski R. Carbon-induced ordering in manganese-rich austenite - A density-functional total-energy and chemical-bonding study Steel Research International. 82: 101-107. DOI: 10.1002/srin.201000260  1
2011 Tchougréeff AL, Dronskowski R. Crystal and electronic structure of the room temperature organometallic ferrimagnet V(TCNE)2. Analysis of numerical DoS and magnetic properties as related to orbital and spin-Hamiltonian models International Journal of Quantum Chemistry. 111: 2490-2509. DOI: 10.1002/qua.22661  1
2011 Fokwa BPT, Lueken H, Dronskowski R. Rational design of complex borides-one-electron-step evolution from soft to semi-hard itinerant ferromagnets in the new boride series Ti 2FeRu 5-nRh nB 2 (1 ≤ n a;circ 5) European Journal of Inorganic Chemistry. 3926-3930. DOI: 10.1002/ejic.201100315  1
2011 Misse PRN, Dronskowski R, Fokwa BPT. Synthesis, crystal chemistry and magnetism of the metal-rich borides M xRh 7-xB 3 (M = Cr, Mn, Ni; X = 0.39-1) with Th 7Fe 3-type Structure Zeitschrift Fur Naturforschung - Section B Journal of Chemical Sciences. 66: 1241-1247.  1
2011 Hoepfner V, Englert U, Dronskowski R. Synthesis and crystal structure determination of a guanidine adduct of sodium guanidinate, NaCN 3H 4(CN 3H 5) 2 Zeitschrift Fur Naturforschung - Section B Journal of Chemical Sciences. 66: 975-978.  1
2011 Miura A, Wessel M, Dronskowski R. Calculation of the electronic structure of delafossite AgTaN2 from first principles Nippon Seramikkusu Kyokai Gakujutsu Ronbunshi/Journal of the Ceramic Society of Japan. 119: 663-666.  1
2010 Xiang H, Dronskowski R, Eck B, Tchougréeff AL. Electronic and magnetic structure of transition-metal carbodiimides by means of GGA+U theory. The Journal of Physical Chemistry. A. 114: 12345-52. PMID 21038908 DOI: 10.1021/jp1081033  1
2010 Burghaus J, Wessel M, Houben A, Dronskowski R. Ternary nitride GaFe(3)N: an experimental and quantum-theoretical study. Inorganic Chemistry. 49: 10148-55. PMID 20886876 DOI: 10.1021/ic1016033  1
2010 Morito H, Eck B, Dronskowski R, Yamane H. Synthesis and crystal structure of sodium borosilicide, Na8B74.5Si17.5. Dalton Transactions (Cambridge, England : 2003). 39: 10197-202. PMID 20886125 DOI: 10.1039/c0dt00801j  1
2010 Von Appen J, Eck B, Dronskowski R. A density-functional study of the phase diagram of cementite-type (Fe,Mn)3C at absolute zero temperature. Journal of Computational Chemistry. 31: 2620-7. PMID 20740562 DOI: 10.1002/jcc.21557  1
2010 Liu X, Speldrich M, Kögerler P, Dronskowski R, Tchougréeff AL. Synthesis, characterization, and quantum-chemical studies of Ni(CN)2MX (M = Rb, Cs; X = Cl, Br). Inorganic Chemistry. 49: 7414-23. PMID 20690750 DOI: 10.1021/ic100599z  1
2010 Stoffel RP, Wessel C, Lumey MW, Dronskowski R. Ab initio thermochemistry of solid-state materials. Angewandte Chemie (International Ed. in English). 49: 5242-66. PMID 20572215 DOI: 10.1002/anie.200906780  1
2010 Tang X, Xiang H, Liu X, Speldrich M, Dronskowski R. A ferromagnetic carbodiimide: Cr2(NCN)3. Angewandte Chemie (International Ed. in English). 49: 4738-42. PMID 20514656 DOI: 10.1002/anie.201000387  1
2010 Krings M, Wessel M, Wilsmann W, Müller P, Dronskowski R. Temperature-dependent synthetic routes to and thermochemical ranking of alpha- and beta-SrNCN. Inorganic Chemistry. 49: 2267-72. PMID 20121253 DOI: 10.1021/ic902065q  1
2010 Wessel M, Dronskowski R. Nature of N-N bonding within high-pressure noble-metal pernitrides and the prediction of lanthanum pernitride. Journal of the American Chemical Society. 132: 2421-9. PMID 20121239 DOI: 10.1021/ja910570t  1
2010 Wessel M, Dronskowski R. A first-principles study on the existence and structures of the lighter alkaline-earth pernitrides. Journal of Computational Chemistry. 31: 1613-7. PMID 20082383 DOI: 10.1002/jcc.21444  1
2010 Tokmachev AM, Tchougréeff AL, Dronskowski R. Hydrogen-bond networks in water clusters (H2O)20: an exhaustive quantum-chemical analysis. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 11: 384-8. PMID 19998401 DOI: 10.1002/cphc.200900770  1
2010 Gillessen M, Dronskowski R. A combinatorial study of inverse Heusler alloys by first-principles computational methods. Journal of Computational Chemistry. 31: 612-9. PMID 19554554 DOI: 10.1002/jcc.21358  1
2010 Music D, Burghaus J, Takahashi T, Dronskowski R, Schneider JM. Thermal expansion and elasticity of PdFe 3N within the quasiharmonic approximation European Physical Journal B. 77: 401-406. DOI: 10.1140/epjb/e2010-00287-x  1
2010 Solokha P, De Negri S, Pavlyuk V, Eck B, Dronskowski R, Saccone A. 3D [Ag-Mg] polyanionic frameworks in the La4Ag 10Mg3 and La4Ag10.3Mg12 new ternary compounds Journal of Solid State Chemistry. 183: 2995-3001. DOI: 10.1016/j.jssc.2010.10.018  1
2010 Stork A, Schilling H, Wessel C, Wolff H, Brger A, Baehtz C, Becker KD, Dronskowski R, Lerch M. Bixbyite- and anatase-type phases in the system Sc-Ta-O-N Journal of Solid State Chemistry. 183: 2051-2058. DOI: 10.1016/j.jssc.2010.07.006  1
2010 Fokwa BPT, Misse PRN, Gilleßen M, Dronskowski R. Sn-flux syntheses, characterizations and bonding analyses of OsB and TiB2 Journal of Alloys and Compounds. 489: 339-342. DOI: 10.1016/j.jallcom.2009.09.125  1
2010 Djurovic D, Hallstedt B, Von Appen J, Dronskowski R. Thermodynamic assessment of the Mn-C system Calphad: Computer Coupling of Phase Diagrams and Thermochemistry. 34: 279-285. DOI: 10.1016/j.calphad.2010.05.002  1
2010 Hallstedt B, Djurovic D, von Appen J, Dronskowski R, Dick A, Körmann F, Hickel T, Neugebauer J. Thermodynamic properties of cementite (Fe3 C) Calphad: Computer Coupling of Phase Diagrams and Thermochemistry. 34: 129-133. DOI: 10.1016/j.calphad.2010.01.004  1
2010 Nakhal S, Lumey MW, Bredow T, Dronskowski R, Lerch M. Synthesis and approximated crystal and electronic structure of a proposed new tantalum oxide nitride Ta3O6N Zeitschrift Fur Anorganische Und Allgemeine Chemie. 636: 1006-1012. DOI: 10.1002/zaac.200900539  1
2010 Liu X, Puspitosari H, Dronskowski R. An investigation of the formation mechanism of copper(II) carbodiimide Zeitschrift Fur Anorganische Und Allgemeine Chemie. 636: 121-125. DOI: 10.1002/zaac.200900320  1
2010 Liu X, Dronskowski R, Glaum R, Tchougréeff AL. Experimental and quantum-chemical investigations of the UV/Vis absorption spectrum of manganese carbodiimide, MnNCN Zeitschrift Fur Anorganische Und Allgemeine Chemie. 636: 343-348. DOI: 10.1002/zaac.200900319  1
2010 Stork L, Müller P, Speldrich M, Kögerler P, Von Appen J, Dronskowski R. Synthesis, high-resolution crystal structure refinement and magnetic properties of the manganese-rich cementite-type Mn1.8Fe 1.2C Zeitschrift Fur Naturforschung - Section B Journal of Chemical Sciences. 65: 1235-1239.  1
2009 Sinitskiy AV, Tchougréeff AL, Tokmachev AM, Dronskowski R. Modeling molecular crystals formed by spin-active metal complexes by atom-atom potentials. Physical Chemistry Chemical Physics : Pccp. 11: 10983-93. PMID 19924334 DOI: 10.1039/b908321a  1
2009 Krings M, Wessel M, Dronskowski R. EuI2, a low-temperature europium(II) iodide phase. Acta Crystallographica. Section C, Crystal Structure Communications. 65: i66-8. PMID 19805863 DOI: 10.1107/S0108270109038542  1
2009 Tchougréeff AL, Tokmachev AM, Dronskowski R. Multipole model for the electron group functions method. The Journal of Physical Chemistry. A. 113: 11406-15. PMID 19780575 DOI: 10.1021/jp905744z  1
2009 Stork L, Liu X, Fokwa BP, Dronskowski R. [CrBr2(NH3)4][CrBr4(NH3)2], a new chromium(III) complex. Acta Crystallographica. Section C, Crystal Structure Communications. 65: i54-6. PMID 19652297 DOI: 10.1107/S0108270109027218  1
2009 Yamada T, Liu X, Englert U, Yamane H, Dronskowski R. Solid-state structure of free base guanidine achieved at last. Chemistry (Weinheim An Der Bergstrasse, Germany). 15: 5651-5. PMID 19388036 DOI: 10.1002/chem.200900508  1
2009 Liu X, Stork L, Speldrich M, Lueken H, Dronskowski R. FeNCN and Fe(NCNH)2: synthesis, structure, and magnetic properties of a nitrogen-based pseudo-oxide and -hydroxide of divalent iron. Chemistry (Weinheim An Der Bergstrasse, Germany). 15: 1558-61. PMID 19115292 DOI: 10.1002/chem.200802422  1
2009 Gillessen M, Dronskowski R. A combinatorial study of full Heusler alloys by first-principles computational methods. Journal of Computational Chemistry. 30: 1290-9. PMID 18991299 DOI: 10.1002/jcc.21152  1
2009 Bélombé MM, Nenwa J, Fokwa BPT, Dronskowski R. Crystal structure of catena-bis[aqua-μ-(2S, 3S)-tartratocobalt(II)] trihydrate, [Co(H2O)(C4H4O6)] 2 · 3H2O, a new polymorph Zeitschrift Fur Kristallographie - New Crystal Structures. 224: 241-242. DOI: 10.1524/ncrs.2009.0107  1
2009 Krott M, Houben A, Müller P, Schweika W, Dronskowski R. Determination of the magnetic structure of manganese carbodiimide with diffraction experiments using polarized neutrons Physical Review B - Condensed Matter and Materials Physics. 80. DOI: 10.1103/PhysRevB.80.024117  1
2009 Xiang H, Liu X, Dronskowski R. Theoretical reinvestigation of the electronic structure of CuNCN: The influence of packing on the magnetic properties Journal of Physical Chemistry C. 113: 18891-18896. DOI: 10.1021/jp907458f  1
2009 Houben A, Burghaus J, Dronskowski R. The ternary nitrides GaFe3N and AlFe3N: Improved synthesis and magnetic properties Chemistry of Materials. 21: 4332-4338. DOI: 10.1021/cm901864z  1
2009 Houben A, Šepelák V, Becker KD, Dronskowski R. Itinerant ferromagnet RhFe3N: Advanced synthesis and 57Fe Mössbauer analysis Chemistry of Materials. 21: 784-788. DOI: 10.1021/cm803004v  1
2009 Niewa R, Rau D, Wosylus A, Meier K, Hanfland M, Wessel M, Dronskowski R, Dzivenko DA, Riedel R, Schwarz U. High-pressure, high-temperature single-crystal growth, ab initio electronic structure calculations, and equation of state of ε-Fe3N 1+x Chemistry of Materials. 21: 392-398. DOI: 10.1021/cm802721k  1
2009 Bredow T, Dronskowski R, Ebert H, Jug K. Theory and computer simulation of perfect and defective solids Progress in Solid State Chemistry. 37: 70-80. DOI: 10.1016/j.progsolidstchem.2009.11.006  1
2009 Martin M, Dronskowski R, Janek J, Becker KD, Roehrens D, Brendt J, Lumey MW, Nagarajan L, Valov I, Börger A. Thermodynamics, structure and kinetics in the system Ga-O-N Progress in Solid State Chemistry. 37: 132-152. DOI: 10.1016/j.progsolidstchem.2009.11.005  1
2009 Lerch M, Janek J, Becker KD, Berendts S, Boysen H, Bredow T, Dronskowski R, Ebbinghaus SG, Kilo M, Lumey MW, Martin M, Reimann C, Schweda E, Valov I, Wiemhöfer HD. Oxide nitrides: From oxides to solids with mobile nitrogen ions Progress in Solid State Chemistry. 37: 81-131. DOI: 10.1016/j.progsolidstchem.2009.11.004  1
2009 Ebbinghaus SG, Abicht HP, Dronskowski R, Müller T, Reller A, Weidenkaff A. Perovskite-related oxynitrides - Recent developments in synthesis, characterisation and investigations of physical properties Progress in Solid State Chemistry. 37: 173-205. DOI: 10.1016/j.progsolidstchem.2009.11.003  1
2009 Yamamoto S, Kikkawa S, Masubuchi Y, Takeda T, Okube M, Yoshiasa A, Lumey M, Dronskowski R. Preparation of gallium oxynitride in the presence of iron through a citrate route Materials Research Bulletin. 44: 1656-1659. DOI: 10.1016/j.materresbull.2009.04.008  1
2009 Burghaus J, Dronskowski R, Miller GJ. Slater-Pauling behavior within quaternary intermetallic borides of the Ti3Co5B2 structure-type Journal of Solid State Chemistry. 182: 2613-2619. DOI: 10.1016/j.jssc.2009.07.017  1
2009 Niewa R, Rau D, Wosylus A, Meier K, Wessel M, Hanfland M, Dronskowski R, Schwarz U. High-pressure high-temperature phase transition of γ′-Fe4N Journal of Alloys and Compounds. 480: 76-80. DOI: 10.1016/j.jallcom.2008.09.178  1
2009 Wolff H, Eck B, Dronskowski R. A density-functional study of nitrogen and oxygen mobility in fluorite-type tantalum oxynitrides High Performance Computing in Science and Engineering 2008 - Transactions of the High Performance Computing Center Stuttgart, Hlrs 2008. 109-117. DOI: 10.1007/978-3-540-88303-6-9  1
2009 Wosylus A, Schwarz U, Akselrud L, Tucker MG, Hanfland M, Rabia K, Kuntscher C, Von Appen J, Dronskowski R, Rau D, Niewa R. High-pressure phase transition and properties of Cu3N: An experimental and theoretical study Zeitschrift Fur Anorganische Und Allgemeine Chemie. 635: 1959-1968. DOI: 10.1002/zaac.200900369  1
2008 Belombe MM, Nenwa J, Mbiangue YA, T Fokwa BP, Dronskowski R. Tris(oxamide dioxime-κN,N')nickel(II) sulfate penta-hydrate. Acta Crystallographica. Section E, Structure Reports Online. 64: m1440-1. PMID 21580881 DOI: 10.1107/S1600536808033278  1
2008 Dronskowski R, Frenking G. Journal of Computational Chemistry. Foreword. Journal of Computational Chemistry. 29: 2039-43. PMID 18636561 DOI: 10.1002/jcc.21067  1
2008 Tchougréeff AL, Dronskowski R. A computational study of the crystal and electronic structure of the room temperature organometallic ferromagnet V(TCNE)2. Journal of Computational Chemistry. 29: 2220-33. PMID 18452124 DOI: 10.1002/jcc.20987  1
2008 Wolff H, Dronskowski R. First-principles and molecular-dynamics study of structure and bonding in perovskite-type oxynitrides ABO(2)N (A = Ca, Sr, Ba; B = Ta, Nb). Journal of Computational Chemistry. 29: 2260-7. PMID 18270967 DOI: 10.1002/jcc.20895  1
2008 Fokwa BP, Samolyuk GD, Miller GJ, Dronskowski R. Ladders of a magnetically active element in the structure of the novel complex boride Ti9Fe2Ru18B8: synthesis, structure, bonding, and magnetism. Inorganic Chemistry. 47: 2113-20. PMID 18269220 DOI: 10.1021/ic7020963  1
2008 Reckeweg O, Dronskowski R, Schleid T. Crystal structure of trans-dichlorotetracyanamideiron(II), Fe(NCNH 2)4Cl2 Zeitschrift Fur Kristallographie - New Crystal Structures. 223: 221. DOI: 10.1524/ncrs.2008.0093  1
2008 Liu X, Dronskowski R, Kremer RK, Ahrens M, Lee C, Whangbo MH. Characterization of the magnetic and structural properties of copper carbodiimide, CuNCN, by neutron diffraction and first-principles evaluations of its spin exchange interactions Journal of Physical Chemistry C. 112: 11013-11017. DOI: 10.1021/jp8007199  1
2008 Fickenscher T, Rayaprol S, Von Appen J, Dronskowski R, Pöttgen R, Latka K, Gurgul J. Crystal structure, chemical bonding, and magnetic hyperfine interactions in GdRu2SiC Chemistry of Materials. 20: 1381-1389. DOI: 10.1021/cm7020406  1
2008 Wolff H, Dronskowski R. Defect migration in fluorite-type tantalum oxynitrides: A first-principles study Solid State Ionics. 179: 816-818. DOI: 10.1016/j.ssi.2007.11.007  1
2008 Yamamoto S, Kikkawa S, Masubuchi Y, Takeda T, Wolff H, Dronskowski R, Yoshiasa A. Chemical synthesis, structural elucidation and quantum-chemical modeling of a Cr3 + doped gallium oxynitride prepared by precursor nitridation Solid State Communications. 147: 41-45. DOI: 10.1016/j.ssc.2008.04.023  1
2008 Wolff H, Lerch M, Schilling H, Bähtz C, Dronskowski R. A density-functional study on the stability of anatase-type phases in the system Mg-Ta-O-N Journal of Solid State Chemistry. 181: 2684-2689. DOI: 10.1016/j.jssc.2008.06.044  1
2008 Fokwa BPT, Dronskowski R. New transition-metal borides containing trigonal-planar B 4-units: Syntheses and single-crystal structure analyses of Ti 1.6Os2.4B2 and Ti1-xFe xOs2RhB2 (0 < x < 0.5) Zeitschrift Fur Anorganische Und Allgemeine Chemie. 634: 1955-1960. DOI: 10.1002/zaac.200800219  1
2008 Liao W, Bi Y, Gao S, Li D, Zhang H, Dronskowski R. Lanthanide-hinged calixarene bicapsules: Discrete hexanuclear Ln III/phenanthroline/p-sulfonatocalix[4]arene oligomers (Ln = Gd, Tb) European Journal of Inorganic Chemistry. 2959-2962. DOI: 10.1002/ejic.200800297  1
2008 Sendor D, Fokwa BPT, Dronskowski R, Simon U. Electrical and optical properties of cetineite-type Rb-, Sr-, and Ba-oxoselenoantimonates(III) European Journal of Inorganic Chemistry. 369-372. DOI: 10.1002/ejic.200701099  1
2008 Houben A, Schweika W, Brückel T, Dronskowski R. Advanced nitrides and neutrons: New nitridic itinerant ferromagnets and the high-performance time-of-flight neutron diffractometer POWTEX Materials Research Society Symposium Proceedings. 1148: 220-230.  1
2007 Nenwa J, Belombe MM, Fokwa BP, Dronskowski R. Monoclinic polymorph of poly[[di-μ-aqua-triaquadi-μ-oxalato-barium(II)-copper(II)] monohydrate]. Acta Crystallographica. Section E, Structure Reports Online. 64: m116-7. PMID 21200476 DOI: 10.1107/S1600536807064525  1
2007 Sendor D, Fokwa BP, Dronskowski R, Simon U. Noble gases influence the conductance of cetineite-type nanoporous semiconductors. Angewandte Chemie (International Ed. in English). 46: 6372-5. PMID 17640009 DOI: 10.1002/anie.200700314  1
2007 Fokwa BP, Lueken H, Dronskowski R. Rational synthetic tuning between itinerant antiferromagnetism and ferromagnetism in the complex boride series Sc2FeRu(5-n)RhnB2 (0Chemistry (Weinheim An Der Bergstrasse, Germany). 13: 6040-6. PMID 17465428 DOI: 10.1002/chem.200700128  1
2007 Wolff H, Bredow T, Lerch M, Schilling H, Irran E, Stork A, Dronskowski R. A first-principles study of the electronic and structural properties of gamma-TaON. The Journal of Physical Chemistry. A. 111: 2745-9. PMID 17388391 DOI: 10.1021/jp0687246  1
2007 Schilling H, Stork A, Irran E, Wolff H, Bredow T, Dronskowski R, Lerch M. Gamma-TaON: a metastable polymorph of tantalum oxynitride. Angewandte Chemie (International Ed. in English). 46: 2931-4. PMID 17352441 DOI: 10.1002/anie.200604351  1
2007 Krott M, Liu X, Fokwa BP, Speldrich M, Lueken H, Dronskowski R. Synthesis, crystal-structure determination and magnetic properties of two new transition-metal carbodiimides: CoNCN and NiNCN. Inorganic Chemistry. 46: 2204-7. PMID 17302407 DOI: 10.1021/ic062051o  1
2007 Wuttig M, Lüsebrink D, Wamwangi D, We?nic W, Gillessen M, Dronskowski R. The role of vacancies and local distortions in the design of new phase-change materials. Nature Materials. 6: 122-8. PMID 17173032 DOI: 10.1038/nmat1807  1
2007 Hartl WP, Klapper H, Barbier B, Ensikat HJ, Dronskowski R, Müller P, Ostendorp G, Tye A, Bauer R, Barthlott W. Diversity of calcium oxalate crystals in Cactaceae Canadian Journal of Botany. 85: 501-517. DOI: 10.1139/B07-046  1
2007 Belombe MM, Nenwa J, Bebga G, Fokwa BPT, Dronskowski R. Bis[tris-(oxamide dioxime-k2 N,N′)-cobalt(III)] oxalate bis-(sulfate) dodeca-hydrate Acta Crystallographica Section E: Structure Reports Online. 63: m2037-m2038. DOI: 10.1107/S1600536807031169  1
2007 Emmerlich J, Music D, Houben A, Dronskowski R, Schneider JM. Systematic study on the pressure dependence of M2 AlC phases (M=Ti,V,Cr,Zr,Nb,Mo,Hf,Ta,W) Physical Review B - Condensed Matter and Materials Physics. 76. DOI: 10.1103/PhysRevB.76.224111  1
2007 Samolyuk GD, Fokwa BPT, Dronskowski R, Miller GJ. Electronic structure, chemical bonding, and magnetic properties in the intermetallic series Sc2 Fe (Ru1-x Rhx) 5 B2 from first principles Physical Review B - Condensed Matter and Materials Physics. 76. DOI: 10.1103/PhysRevB.76.094404  1
2007 Music D, Houben A, Dronskowski R, Schneider JM. Ab initio study of ductility in M2 AlC (M=Ti, V, Cr) Physical Review B - Condensed Matter and Materials Physics. 75. DOI: 10.1103/PhysRevB.75.174102  1
2007 Liu C, Luo F, Liao W, Li D, Wang X, Dronskowski R. pH-dependent syntheses and structures of two copper(II)/phenanthroline/p- sulfonatocalix[4]arene supramolecular compounds with 1D water-filled channels Crystal Growth and Design. 7: 2282-2285. DOI: 10.1021/cg070579d  1
2007 Fokwa BPT, Dronskowski R. Synthesis, single-crystal structure refinement and Fe/T site preference in the ternary borides FexT7-xB3 (T = Ru, Rh; 0 < x ≤ 1.5) Journal of Alloys and Compounds. 428: 84-89. DOI: 10.1016/j.jallcom.2006.03.079  1
2007 Stork L, Liu X, Fokwa BPT, Dronskowski R. Crystal structure determination of thallium carbodiimide, Tl2NCN Zeitschrift Fur Anorganische Und Allgemeine Chemie. 633: 1339-1342. DOI: 10.1002/zaac.200600323  1
2007 Dronskowski R. Computational Chemistry of Solid State Materials: A Guide for Materials Scientists, Chemists, Physicists and others Computational Chemistry of Solid State Materials: a Guide For Materials Scientists, Chemists, Physicists and Others. 1-292. DOI: 10.1002/9783527612277  1
2006 Ortlepp JR, Pillich M, Schmitz F, Mevissen V, Koos R, Weiss S, Stork L, Dronskowski R, Langebartels G, Autschbach R, Brandenburg V, Woodruff S, Kaden JJ, Hoffmann R. Lower serum calcium levels are associated with greater calcium hydroxyapatite deposition in native aortic valves of male patients with severe calcific aortic stenosis. The Journal of Heart Valve Disease. 15: 502-8. PMID 16901043  0.48
2006 Bobev S, Merz J, Lima A, Fritsch V, Thompson JD, Sarrao JL, Gillessen M, Dronskowski R. Unusual Mn-Mn spin coupling in the polar intermetallic compounds CaMn2Sb2 and SrMn2Sb2. Inorganic Chemistry. 45: 4047-54. PMID 16676965 DOI: 10.1021/ic060092e  1
2006 Liao W, Dronskowski R. Crystal structures of extended europium cyanamide-carbodiimide compounds derived from different reaction conditions: temperature-controlled syntheses of In(0.08)Eu4(NCN)3I3, Eu8I9(CN)(NCN)3, and In(0.28)Eu12(NCN)5I(14.91). Inorganic Chemistry. 45: 3828-30. PMID 16676933 DOI: 10.1021/ic051899u  1
2006 Koos R, Mahnken AH, Kühl HP, Mühlenbruch G, Mevissen V, Stork L, Dronskowski R, Langebartels G, Autschbach R, Ortlepp JR. Quantification of aortic valve calcification using multislice spiral computed tomography: comparison with atomic absorption spectroscopy. Investigative Radiology. 41: 485-9. PMID 16625112 DOI: 10.1097/01.rli.0000208224.93467.87  0.48
2005 Houben A, Müller P, von Appen J, Lueken H, Niewa R, Dronskowski R. Synthesis, crystal structure, and magnetic properties of the semihard itinerant ferromagnet RhFe3N. Angewandte Chemie (International Ed. in English). 44: 7212-5. PMID 16231388 DOI: 10.1002/anie.200502579  0.68
2005 Liu X, Krott M, Müller P, Hu C, Lueken H, Dronskowski R. Synthesis, crystal structure, and properties of MnNCN, the first carbodiimide of a magnetic transition metal. Inorganic Chemistry. 44: 3001-3. PMID 15847401 DOI: 10.1021/ic050050a  0.36
2004 Ortlepp JR, Schmitz F, Mevissen V, Weiss S, Huster J, Dronskowski R, Langebartels G, Autschbach R, Zerres K, Weber C, Hanrath P, Hoffmann R. The amount of calcium-deficient hexagonal hydroxyapatite in aortic valves is influenced by gender and associated with genetic polymorphisms in patients with severe calcific aortic stenosis. European Heart Journal. 25: 514-22. PMID 15039132 DOI: 10.1016/j.ehj.2003.09.006  0.48
2003 Liu X, Müller P, Kroll P, Dronskowski R, Wilsmann W, Conradt R. Experimental and quantum-chemical studies on the thermochemical stabilities of mercury carbodiimide and mercury cyanamide. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 4: 725-31. PMID 12901304 DOI: 10.1002/cphc.200300635  0.36
2002 Liu X, Müller P, Kroll P, Dronskowski R. Synthesis, structure determination, and quantum-chemical characterization of an alternate HgNCN polymorph. Inorganic Chemistry. 41: 4259-65. PMID 12160416  0.36
2000 Landrum GA, Dronskowski R. Reply. Angewandte Chemie (International Ed. in English). 39: 4475-4476. PMID 11169640 DOI: 10.1002/1521-3773(20001215)39:24<4475::AID-ANIE4475>3.0.CO;2-V  1
2000 Landrum GA, Dronskowski R. The Orbital Origins of Magnetism: From Atoms to Molecules to Ferromagnetic Alloys. Angewandte Chemie (International Ed. in English). 39: 1560-1585. PMID 10820443 DOI: 10.1002/(SICI)1521-3773(20000502)39:9<1560::AID-ANIE1560>3.0.CO;2-T  1
1999 Landrum GA, Dronskowski R. Ferromagnetism in Transition Metals: A Chemical Bonding Approach. Angewandte Chemie (International Ed. in English). 38: 1389-1393. PMID 29711580 DOI: 10.1002/(SICI)1521-3773(19990517)38:10<1389::AID-ANIE1389>3.0.CO;2-K  1
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