Works by Jerabek, Paul

Results: 45

Quantitative Assessment of Ligand Substituent Effects on σ‐ and π‐Contributions to Fe−N Bonds in Spin Crossover FeII Complexes.
Published in:
Chemistry - A European Journal, 2022, v. 28, n. 22, p. 1, doi. 10.1002/chem.202104314
By:
- Bondì, Luca;
- Garden, Anna L.;
- Totti, Federico;
- Jerabek, Paul;
- Brooker, Sally
Publication type:
Article
Einflüsse auf die Balance zwischen bcc‐ und fcc‐Phasenstabilitäten von Alkali‐ und Münzmetallen.
Published in:
Angewandte Chemie, 2024, v. 136, n. 1, p. 1, doi. 10.1002/ange.202313679
By:
- Robles‐Navarro, Andrés;
- Jerabek, Paul;
- Schwerdtfeger, Peter
Publication type:
Article
Oganesson: Ein Edelgas, das weder edel noch ein Gas ist.
Published in:
Angewandte Chemie, 2020, v. 132, n. 52, p. 23843, doi. 10.1002/ange.202011976
By:
- Smits, Odile R.;
- Mewes, Jan‐Michael;
- Jerabek, Paul;
- Schwerdtfeger, Peter
Publication type:
Article
Oganesson ist ein Halbleiter: Über die relativitische Bandlückenkontraktion in den schwersten Edelgasen.
Published in:
Angewandte Chemie, 2019, v. 131, n. 40, p. 14398, doi. 10.1002/ange.201908327
By:
- Mewes, Jan‐Michael;
- Jerabek, Paul;
- Smits, Odile R.;
- Schwerdtfeger, Peter
Publication type:
Article
A relativistic coupled-cluster interaction potential and rovibrational constants for the xenon dimer.
Published in:
Molecular Physics, 2018, v. 116, n. 1, p. 1, doi. 10.1080/00268976.2017.1359347
By:
- Jerabek, Paul;
- Smits, Odile;
- Pahl, Elke;
- Schwerdtfeger, Peter
Publication type:
Article
Hunting dimers.
Published in:
Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2012, v. 131, n. 3, p. 1, doi. 10.1007/s00214-012-1149-3
By:
- Rogachev, Andrey;
- Jerabek, Paul;
- Klein, Susanne;
- Frenking, Gernot;
- Hoffmann, Roald
Publication type:
Article
Ligand-Stabilized [P4]2+ Cations.
Published in:
Angewandte Chemie International Edition, 2012, v. 51, n. 12, p. 2964, doi. 10.1002/anie.201109010
By:
- Donath, Maximilian;
- Conrad, Eamonn;
- Jerabek, Paul;
- Frenking, Gernot;
- Fröhlich, Roland;
- Burford, Neil;
- Weigand, Jan J.
Publication type:
Article
Dative and electron‐sharing bonding in transition metal compounds.
Published in:
Journal of Computational Chemistry, 2019, v. 40, n. 1, p. 247, doi. 10.1002/jcc.25584
By:
- Jerabek, Paul;
- Schwerdtfeger, Peter;
- Frenking, Gernot
Publication type:
Article
Stepwise Synthesis of Siloxane-Substituted Oligoarsanes and Structural Investigation of Alkaline Earth Metal Derivatives.
Published in:
European Journal of Inorganic Chemistry, 2015, v. 2015, n. 20, p. 3264, doi. 10.1002/ejic.201500279
By:
- Clobes, Christian;
- Jerabek, Paul;
- Nußbruch, Isabell;
- Frenking, Gernot;
- von Hänisch, Carsten
Publication type:
Article
Bonding analysis of telluroketones H2A = Te (A = C, Si, Ge)
Published in:
Journal of Molecular Modeling, 2014, v. 20, n. 10, p. 1, doi. 10.1007/s00894-014-2433-z
By:
- Jaufeerally, Naziah B.;
- Ramasami, Ponnadurai;
- Jerabek, Paul;
- Frenking, Gernot
Publication type:
Article
Multiscale modeling of metal-hydride interphases—quantification of decoupled chemo-mechanical energies.
Published in:
NPJ Computational Materials, 2024, v. 10, n. 1, p. 1, doi. 10.1038/s41524-024-01424-1
By:
- Alvares, Ebert;
- Sellschopp, Kai;
- Wang, Bo;
- Kang, ShinYoung;
- Klassen, Thomas;
- Wood, Brandon C.;
- Heo, Tae Wook;
- Jerabek, Paul;
- Pistidda, Claudio
Publication type:
Article
Tipping the Balance Between the bcc and fcc Phase Within the Alkali and Coinage Metal Groups.
Published in:
Angewandte Chemie International Edition, 2024, v. 63, n. 1, p. 1, doi. 10.1002/anie.202313679
By:
- Robles‐Navarro, Andrés;
- Jerabek, Paul;
- Schwerdtfeger, Peter
Publication type:
Article
Oganesson: A Noble Gas Element That Is Neither Noble Nor a Gas.
Published in:
Angewandte Chemie International Edition, 2020, v. 59, n. 52, p. 23636, doi. 10.1002/anie.202011976
By:
- Smits, Odile R.;
- Mewes, Jan‐Michael;
- Jerabek, Paul;
- Schwerdtfeger, Peter
Publication type:
Article
Oganesson Is a Semiconductor: On the Relativistic Band‐Gap Narrowing in the Heaviest Noble‐Gas Solids.
Published in:
Angewandte Chemie International Edition, 2019, v. 58, n. 40, p. 14260, doi. 10.1002/anie.201908327
By:
- Mewes, Jan‐Michael;
- Jerabek, Paul;
- Smits, Odile R.;
- Schwerdtfeger, Peter
Publication type:
Article
A Hundred‐Year‐Old Experiment Re‐evaluated: Accurate Ab Initio Monte Carlo Simulations of the Melting of Radon.
Published in:
Angewandte Chemie International Edition, 2018, v. 57, n. 31, p. 9961, doi. 10.1002/anie.201803353
By:
- Smits, Odile R.;
- Jerabek, Paul;
- Pahl, Elke;
- Schwerdtfeger, Peter
Publication type:
Article
Validation of T2‐based oxygen extraction fraction measurement with 15O positron emission tomography.
Published in:
Magnetic Resonance in Medicine, 2021, v. 85, n. 1, p. 290, doi. 10.1002/mrm.28410
By:
- Jiang, Dengrong;
- Deng, Shengwen;
- Franklin, Crystal G.;
- O'Boyle, Michael;
- Zhang, Wei;
- Heyl, Betty L.;
- Pan, Li;
- Jerabek, Paul A.;
- Fox, Peter T.;
- Lu, Hanzhang
Publication type:
Article
Xenon effects on regional cerebral blood flow assessed by 15O-H2O positron emission tomography: implications for hyperpolarized xenon MRI.
Published in:
1997
By:
- Liotti, Mario;
- Martin, Charles C.;
- Gao, Jia-Hong;
- Roby, John W.;
- Mayberg, Helen S.;
- Zamarripa, Frank;
- Jerabek, Paul A.;
- Fox, Peter T.;
- Liotti, M;
- Martin, C C;
- Gao, J H;
- Roby, J W;
- Mayberg, H S;
- Zamarripa, F;
- Jerabek, P A;
- Fox, P T
Publication type:
journal article
Comparative analysis of ternary TiAlNb interatomic potentials: moment tensor vs. deep learning approaches.
Published in:
Frontiers in Materials, 2024, p. 1, doi. 10.3389/fmats.2024.1466793
By:
- Chandran, Anju;
- Santhosh, Archa;
- Pistidda, Claudio;
- Jerabek, Paul;
- Aydin, Roland C.;
- Cyron, Christian J.
Publication type:
Article
Comparative analysis of ternary TiAlNb interatomic potentials: moment tensor vs. deep learning approaches.
Published in:
Frontiers in Materials, 2024, p. 01, doi. 10.3389/fmats.2024.1466793
By:
- Chandran, Anju;
- Santhosh, Archa;
- Pistidda, Claudio;
- Jerabek, Paul;
- Aydin, Roland C.;
- Cyron, Christian J.
Publication type:
Article
Large Exchange Bias, High Dielectric Constant, and Outstanding Ionic Conductivity in a Single‐Phase Spin Glass.
Published in:
Advanced Electronic Materials, 2022, v. 8, n. 11, p. 1, doi. 10.1002/aelm.202200483
By:
- Ghazanfari, Mohammad R.;
- Santhosh, Archa;
- Siemensmeyer, Konrad;
- Fuß, Friederike;
- Staab, Lennart;
- Vrijmoed, Johannes C.;
- Peters, Bertram;
- Liesegang, Moritz;
- Dehnen, Stefanie;
- Oeckler, Oliver;
- Jerabek, Paul;
- Thiele, Günther
Publication type:
Article
Quantitative and Chemically Intuitive Evaluation of the Nature of M−L Bonds in Paramagnetic Compounds: Application of EDA‐NOCV Theory to Spin Crossover Complexes.
Published in:
Chemistry - A European Journal, 2020, v. 26, n. 60, p. 13677, doi. 10.1002/chem.202002146
By:
- Bondì, Luca;
- Garden, Anna L.;
- Jerabek, Paul;
- Totti, Federico;
- Brooker, Sally
Publication type:
Article
Catalytic Asymmetric Fluorination of Copper Carbene Complexes: Preparative Advances and a Mechanistic Rationale.
Published in:
Chemistry - A European Journal, 2020, v. 26, n. 11, p. 2509, doi. 10.1002/chem.202000081
By:
- Buchsteiner, Michael;
- Martinez‐Rodriguez, Luis;
- Jerabek, Paul;
- Pozo, Iago;
- Patzer, Michael;
- Nöthling, Nils;
- Lehmann, Christian W.;
- Fürstner, Alois
Publication type:
Article
Ligands Based on Phosphine‐Stabilized Aluminum(I), Boron(I), and Carbon(0).
Published in:
Chemistry - A European Journal, 2019, v. 25, n. 12, p. 3068, doi. 10.1002/chem.201805123
By:
- Vondung, Lisa;
- Jerabek, Paul;
- Langer, Robert
Publication type:
Article
Tipping the Balance between Ligand and Metal Protonation due to Relativistic Effects: Unusually High Proton Affinity in Gold(I) Pincer Complexes.
Published in:
Chemistry - A European Journal, 2018, v. 24, n. 23, p. 6047, doi. 10.1002/chem.201800755
By:
- Jerabek, Paul;
- Vondung, Lisa;
- Schwerdtfeger, Peter
Publication type:
Article
Ligand-Stabilized [P4]2+ Cations.
Published in:
Angewandte Chemie, 2012, v. 124, n. 12, p. 3018, doi. 10.1002/ange.201109010
By:
- Donath, Maximilian;
- Conrad, Eamonn;
- Jerabek, Paul;
- Frenking, Gernot;
- Fröhlich, Roland;
- Burford, Neil;
- Weigand, Jan J.
Publication type:
Article
Front Cover: The Light‐Driven Isomerization of Aqueous Nitrate: A Theoretical Perspective (ChemPhotoChem 8/2018).
Published in:
ChemPhotoChem, 2018, v. 2, n. 8, p. 700, doi. 10.1002/cptc.201800161
By:
- Mewes, Jan‐Michael;
- Jerabek, Paul;
- Bohle, D. Scott;
- Schwerdtfeger, Peter
Publication type:
Article
The Light‐Driven Isomerization of Aqueous Nitrate: A Theoretical Perspective.
Published in:
ChemPhotoChem, 2018, v. 2, n. 8, p. 702, doi. 10.1002/cptc.201800160
By:
- Mewes, Jan‐Michael;
- Jerabek, Paul;
- Bohle, D. Scott;
- Schwerdtfeger, Peter
Publication type:
Article
The Light‐Driven Isomerization of Aqueous Nitrate: A Theoretical Perspective.
Published in:
ChemPhotoChem, 2018, v. 2, n. 8, p. 725, doi. 10.1002/cptc.201800022
By:
- Mewes, Jan‐Michael;
- Jerabek, Paul;
- Bohle, D. Scott;
- Schwerdtfeger, Peter
Publication type:
Article
Nearly Degenerate Isomers of C(BH)2: Cumulene, Carbene, or Carbone?
Published in:
Chemistry - A European Journal, 2013, v. 19, n. 47, p. 15941, doi. 10.1002/chem.201302181
By:
- Barua, Shiblee R.;
- Allen, Wesley D.;
- Kraka, Elfi;
- Jerabek, Paul;
- Sure, Rebecca;
- Frenking, Gernot
Publication type:
Article
Ein hundert Jahre altes Experiment auf dem Prüfstand: hochgenaue Ab‐Initio‐Monte‐Carlo‐Schmelzsimulationen von Radon.
Published in:
Angewandte Chemie, 2018, v. 130, n. 31, p. 10109, doi. 10.1002/ange.201803353
By:
- Smits, Odile R.;
- Jerabek, Paul;
- Pahl, Elke;
- Schwerdtfeger, Peter
Publication type:
Article
The Oxygen-Rich Beryllium Oxides BeO4 and BeO6.
Published in:
Angewandte Chemie, 2016, v. 128, n. 36, p. 11021, doi. 10.1002/ange.201606154
By:
- Zhang, Qingnan;
- Jerabek, Paul;
- Chen, Mohua;
- Zhou, Mingfei;
- Frenking, Gernot
Publication type:
Article
Die σ-aromatischen Cluster [Zn3]+ und [Zn2Cu] - kleinste molekulare Bausteine für Messing.
Published in:
Angewandte Chemie, 2015, v. 127, n. 14, p. 4445, doi. 10.1002/ange.201410737
By:
- Freitag, Kerstin;
- Gemel, Christian;
- Jerabek, Paul;
- Oppel, Iris M.;
- Seidel, Rüdiger W.;
- Frenking, Gernot;
- Banh, Hung;
- Dilchert, Katharina;
- Fischer, Roland A.
Publication type:
Article
Ein neuartiges Konzept zur Synthese mehrfach dotierter Goldcluster [(M@AunM′ m)Lk]q+.
Published in:
Angewandte Chemie, 2014, v. 126, n. 17, p. 4415, doi. 10.1002/ange.201310436
By:
- Puls, Arik;
- Jerabek, Paul;
- Kurashige, Wataru;
- Förster, Moritz;
- Molon, Mariusz;
- Bollermann, Timo;
- Winter, Manuela;
- Gemel, Christian;
- Negishi, Yuichi;
- Frenking, Gernot;
- Fischer, Roland A.
Publication type:
Article
Experimentelle Elektronendichteuntersuchung eines Silylons.
Published in:
Angewandte Chemie, 2014, v. 126, n. 10, p. 2806, doi. 10.1002/ange.201308609
By:
- Niepötter, Benedikt;
- Herbst ‐ Irmer, Regine;
- Kratzert, Daniel;
- Samuel, Prinson P.;
- Mondal, Kartik Chandra;
- Roesky, Herbert W.;
- Jerabek, Paul;
- Frenking, Gernot;
- Stalke, Dietmar
Publication type:
Article
[3+2] Fragmentation of an [RP5Cl]+ Cage Cation Induced by an N-Heterocyclic Carbene.
Published in:
Angewandte Chemie, 2013, v. 125, n. 42, p. 11284, doi. 10.1002/ange.201302914
By:
- Holthausen, Michael H.;
- Surmiak, Sabrina K.;
- Jerabek, Paul;
- Frenking, Gernot;
- Weigand, Jan J.
Publication type:
Article
Isolierung neutraler mono- und dinuklearer Goldkomplexe von cyclischen Alkyl(amino)carbenen.
Published in:
Angewandte Chemie, 2013, v. 125, n. 34, p. 9134, doi. 10.1002/ange.201304820
By:
- Weinberger, David S.;
- Melaimi, Mohand;
- Moore, Curtis E.;
- Rheingold, Arnold L.;
- Frenking, Gernot;
- Jerabek, Paul;
- Bertrand, Guy
Publication type:
Article
Assessment of tumor hypoxia and perfusion in recurrent glioblastoma following bevacizumab failure using MRI and 18F-FMISO PET.
Published in:
Scientific Reports, 2021, v. 11, n. 1, p. 1, doi. 10.1038/s41598-021-84331-5
By:
- Huang, Shiliang;
- Michalek, Joel E.;
- Reardon, David A.;
- Wen, Patrick Y.;
- Floyd, John R.;
- Fox, Peter T.;
- Clarke, Geoffrey D.;
- Jerabek, Paul A.;
- Schmainda, Kathleen M.;
- Muzi, Mark;
- Hyun, Hyewon;
- Lee, Eudocia Quant;
- Brenner, Andrew J.
Publication type:
Article
Effect of partition coefficient, permeability surface product, and radioisotope on the signal-to-noise ratio in PET functional brain mapping: a computer simulation.
Published in:
Human Brain Mapping, 1999, v. 7, n. 3, p. 151, doi. 10.1002/(SICI)1097-0193(1999)7:3<151::AID-HBM1>3.0.CO;2-3
By:
- Martin, Charles C.;
- Jerabek,, Paul A.;
- Nickerson, Lisa D.H.;
- Fox, Peter T.
Publication type:
Article
Oligonuclear Molecular Models of Intermetallic Phases: A Case Study on [Pd2Zn6Ga2(Cp*)5(CH3)3].
Published in:
Chemistry - A European Journal, 2012, v. 18, n. 16, p. 4909, doi. 10.1002/chem.201102758
By:
- Bollermann, Timo;
- Molon, Mariusz;
- Gemel, Christian;
- Freitag, Kerstin;
- Seidel, Rüdiger W.;
- von Hopffgarten, Moritz;
- Jerabek, Paul;
- Frenking, Gernot;
- Fischer, Roland A.
Publication type:
Article
The Oxygen-Rich Beryllium Oxides BeO4 and BeO6.
Published in:
Angewandte Chemie International Edition, 2016, v. 55, n. 36, p. 10863, doi. 10.1002/anie.201606154
By:
- Zhang, Qingnan;
- Jerabek, Paul;
- Chen, Mohua;
- Zhou, Mingfei;
- Frenking, Gernot
Publication type:
Article
The σ-Aromatic Clusters [Zn3]+ and [Zn2Cu]: Embryonic Brass.
Published in:
Angewandte Chemie International Edition, 2015, v. 54, n. 14, p. 4370, doi. 10.1002/anie.201410737
By:
- Freitag, Kerstin;
- Gemel, Christian;
- Jerabek, Paul;
- Oppel, Iris M.;
- Seidel, Rüdiger W.;
- Frenking, Gernot;
- Banh, Hung;
- Dilchert, Katharina;
- Fischer, Roland A.
Publication type:
Article
A Novel Concept for the Synthesis of Multiply Doped Gold Clusters [(M@AunM′m)Lk]q+.
Published in:
Angewandte Chemie International Edition, 2014, v. 53, n. 17, p. 4327, doi. 10.1002/anie.201310436
By:
- Puls, Arik;
- Jerabek, Paul;
- Wataru Kurashige;
- Förster, Moritz;
- Molon, Mariusz;
- Bollermann, Timo;
- Winter, Manuela;
- Gemel, Christian;
- Yuichi Negishi;
- Frenking, Gernot;
- Fischer, Roland A.
Publication type:
Article
Experimental Charge Density Study of a Silylone.
Published in:
Angewandte Chemie International Edition, 2014, v. 53, n. 10, p. 2766, doi. 10.1002/anie.201308609
By:
- Niepötter, Benedikt;
- Herbst‐Irmer, Regine;
- Kratzert, Daniel;
- Samuel, Prinson P.;
- Mondal, Kartik Chandra;
- Roesky, Herbert W.;
- Jerabek, Paul;
- Frenking, Gernot;
- Stalke, Dietmar
Publication type:
Article
[3+2] Fragmentation of an [RP5Cl]+ Cage Cation Induced by an N-Heterocyclic Carbene.
Published in:
Angewandte Chemie International Edition, 2013, v. 52, n. 42, p. 11078, doi. 10.1002/anie.201302914
By:
- Holthausen, Michael H.;
- Surmiak, Sabrina K.;
- Jerabek, Paul;
- Frenking, Gernot;
- Weigand, Jan J.
Publication type:
Article
Isolation of Neutral Mono- and Dinuclear Gold Complexes of Cyclic (Alkyl)(amino)carbenes.
Published in:
Angewandte Chemie International Edition, 2013, v. 52, n. 34, p. 8964, doi. 10.1002/anie.201304820
By:
- Weinberger, David S.;
- Melaimi, Mohand;
- Moore, Curtis E.;
- Rheingold, Arnold L.;
- Frenking, Gernot;
- Jerabek, Paul;
- Bertrand, Guy
Publication type:
Article