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C

Christoph van Wüllen

rptu university kaiserslautern

44H指数
172论文数
7.2K被引数
收录论文 52
发表时间
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Picture change and finite nuclear size effects in the calculation of 193Ir Mössbauer parameters图像变换和有限核尺寸效应对193Ir Mössbauer参数计算的影响
errMOLECULAR PHYSICS
IF1.8
err2025-11-01
err0
PREAI
errKopp, Paul; van Wullen, Christoph
err分享
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Unexpected Reduction of a Coordinated Diazapyridinophane Ligand Bound to Chromium(III) Ion Leading to Delocalization of the Unpaired Electron across Two Isolated Pyridine Units
errCHEMISTRY-A EUROPEAN JOURNAL
IF3.7
err2023-12-04
err1
errOAAI
errKraemer, Kristin; Schmitz, Markus; Kelm, Harald; van Wuellen, Christoph; Krueger, Hans-Joerg
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Mn12-Acetate Complexes Studied as Single Molecules
errCHEMISTRY-A EUROPEAN JOURNAL
IF3.7
err2021-12-08
err5
errOAAI
errTombers, Matthias; Meyer, Jennifer; Meyer, Jonathan; Lawicki, Arkadiusz; Zamudio-Bayer, Vicente; Hirsch, Konstantin; Lau, J. Tobias; von Issendorff, Bernd; Terasaki, Akira; Schlathoelter, Thomas A.; Hoekstra, Ronnie A.; Schmidt, Sebastian; Powell, Annie K.; Kessler, Eva; Prosenc, Marc H.; van Wuellen, Christoph; Niedner-Schatteburg, Gereon
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Analyzing Anisotropic Exchange in a Pentanuclear Os2Ni3 Complex
errCHEMISTRY-A EUROPEAN JOURNAL
IF3.7
err2021-08-18
err1
errOAAI
errHeimermann, Andreas; van Wuellen, Christoph
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TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-05-13
err815
errOAAI
errBalasubramani, Sree Ganesh; Chen, Guo P.; Coriani, Sonia; Diedenhofen, Michael; Frank, Marius S.; Franzke, Yannick J.; Furche, Filipp; Grotjahn, Robin; Harding, Michael E.; Haettig, Christof; Hellweg, Arnim; Helmich-Paris, Benjamin; Holzer, Christof; Huniar, Uwe; Kaupp, Martin; Khah, Alireza Marefat; Khani, Sarah Karbalaei; Mueller, Thomas; Mack, Fabian; Nguyen, Brian D.; Parker, Shane M.; Perlt, Eva; Rappoport, Dmitrij; Reiter, Kevin; Roy, Saswata; Rueckert, Matthias; Schmitz, Gunnar; Sierka, Marek; Tapavicza, Enrico; Tew, David P.; van Wuellen, Christoph; Voora, Vamsee K.; Weigend, Florian; Wodynski, Artur; Yu, Jason M.
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Broken Symmetry Approach to Magnetic Properties of Oligonuclear Transition-Metal Complexes: Application to Hyperfine Tensors of Mixed-Valence Manganese Compounds
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2018-08-02
err9
PREAI
errMehlich, Christine; van Wuellen, Christoph
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Spin-Free CC2 Implementation of Induced Transitions between Singlet Ground and Triplet Excited States (vol 12, pg 1892, 2016)
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2017-06-27
err0
PREAI
errHelmich-Paris, Benjamin; Hattig, Christof; van Wullen, Christoph
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Spectroscopic, Structural, and Kinetic Investigation of the Ultrafast Spin Crossover in an Unusual Cobalt(II) Semiquinonate Radical Complex
errCHEMISTRY-A EUROPEAN JOURNAL
IF3.7
err2017-01-16
err41
PREAI
errRupp, Fabian; Chevalier, Katharina; Graf, Michele; Schmitz, Markus; Kelm, Harald; Gruen, Anneken; Zimmer, Manuel; Gerhards, Markus; van Wuellen, Christoph; Kruger, Hans-Joerg; Diller, Rolf
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Spin-Free CC2 Implementation of Induced Transitions between Singlet Ground and Triplet Excited States
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2016-03-03
err18
PREAI
errHelmich-Paris, Benjamin; Hattig, Christof; van Wuellen, Christoph
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The spin and orbital contributions to the total magnetic moments of free Fe, Co, and Ni clusters
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2015-09-08
err62
errOAAI
errMeyer, Jennifer; Tombers, Matthias; van Wuellen, Christoph; Niedner-Schatteburg, Gereon; Peredkov, Sergey; Eberhardt, Wolfgang; Neeb, Matthias; Palutke, Steffen; Martins, Michael; Wurth, Wilfried
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Intersystem-crossing and phosphorescence rates in fac-IrIII(ppy)3: A theoretical study involving multi-reference configuration interaction wavefunctionsFac-iriii (ppy)3中的系统间交叉和磷光率: 涉及多参考构型相互作用波函数的理论研究
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2015-03-02
err85
PREAI
errKleinschmidt, Martin; van Wuellen, Christoph; Marian, Christel M.
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Mechanism of Cu/Pd-Catalyzed Decarboxylative Cross-Couplings: A DFT Investigation
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2014-07-08
err91
PREAI
errFromm, Andreas; van Wuellen, Christoph; Hackenberger, Dagmar; Goossen, Lukas J.
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Broken symmetry approach to density functional calculation of zero field splittings including anisotropic exchange interactions
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2013-11-12
err25
PREAI
errKessler, Eva M. V.; Schmitt, Sebastian; van Wuellen, Christoph
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Structure-Reactivity Relationships in the Hydrogenation of Carbon Dioxide with Ruthenium Complexes Bearing Pyridinylazolato Ligands带有吡啶基偶氮配体的钌配合物在二氧化碳氢化中的结构-反应性关系
errCHEMISTRY-A EUROPEAN JOURNAL
IF3.7
err2013-04-15
err33
PREAI
errMuller, Keven; Sun, Yu; Heimermann, Andreas; Menges, Fabian; Niedner-Schatteburg, Gereon; van Wuellen, Christoph; Thiel, Werner R.
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Breakdown of the pseudopotential approximation for magnetizabilities and electric multipole moments. II. The importance of gauge invariance for large-core semi-local pseudopotentials
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2012-07-05
err6
PREAI
errSchwerdtfeger, Peter; van Wuellen, Christoph; Cheeseman, James R.
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On the use of effective core potentials in the calculation of magnetic properties, such as magnetizabilites and magnetic shieldings
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2012-03-19
err18
PREAI
errvan Wuellen, Christoph
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Zero-field splittings from density functional calculations: Analysis and improvement of known methods
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2011-05-19
err82
PREAI
errSchmitt, Sebastian; Jost, Patrick; van Wuellen, Christoph
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Shared-Memory Parallelization of the TURBOMOLE Programs AOFORCE, ESCF, and EGRAD: How to Quickly Parallelize Legacy Code
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2010-11-29
err57
PREAI
errvan Wuellen, Christoph
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Communications: Adsorption of element 112 on the gold surface: Many-body wave function versus density functional theory
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2010-02-23
err16
errOAAI
errZaitsevskii, Andrei; van Wullen, Christoph; Titov, Anatoly V.
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Relativistic pseudopotential model for superheavy elements: applications to chemistry of eka-Hg and eka-Pb
errRUSSIAN CHEMICAL REVIEWS
IF6
err2010-02-15
err32
PREAI
errZaitsevskii, A. V.; van Wuellen, C.; Titov, A. V.
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研究方向

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