Works by Jerabek, Paul

Results: 45

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

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

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

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

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

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

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

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

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

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

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

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

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

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, 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

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

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

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

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

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

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

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

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