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Steven Vancoillie

KU Leuven

19H指数
45论文数
4.1K被引数
收录论文 15
发表时间
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OpenMolcas: From Source Code to Insight
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2019-09-11
err806
errOAAI
errGalvan, Ignacio Fdez; Vacher, Morgane; Alavi, Ali; Angeli, Celestino; Aquilante, Francesco; Autschbach, Jochen; Bao, Jie J.; Bokarev, Sergey I.; Bogdanov, Nikolay A.; Carlson, Rebecca K.; Chibotaru, Liviu F.; Creutzberg, Joel; Dattani, Nike; Delcey, Mickael G.; Dong, Sijia S.; Dreuw, Andreas; Freitag, Leon; Manuel Frutos, Luis; Gagliardi, Laura; Gendron, Frederic; Giussani, Angelo; Gonzalez, Leticia; Grell, Gilbert; Guo, Meiyuan; Hoyer, Chad E.; Johansson, Marcus; Keller, Sebastian; Knecht, Stefan; Kovacevic, Goran; Kallman, Erik; Li Manni, Giovanni; Lundberg, Marcus; Ma, Yingjin; Mai, Sebastian; Malhado, Joao Pedro; Malmqvist, Per Ake; Marquetand, Philipp; Mewes, Stefanie A.; Norell, Jesper; Olivucci, Massimo; Oppel, Markus; Quan Manh Phung; Pierloot, Kristine; Plasser, Felix; Reiher, Markus; Sand, Andrew M.; Schapiro, Igor; Sharma, Prachi; Stein, Christopher J.; Sorensen, Lasse Kragh; Truhlar, Donald G.; Ugandi, Mihkel; Ungur, Liviu; Valentini, Alessio; Vancoillie, Steven; Veryazov, Valera; Weser, Oskar; Wesolowski, Tomasz A.; Widmark, Per-Olof; Wouters, Sebastian; Zech, Alexander; Zobel, J. Patrick; Lindh, Roland
err分享
err收藏
Potential Energy Surface of the Chromium Dimer Re-re-revisited with Multiconfigurational Perturbation Theory
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2016-03-10
err54
PREAI
errVancoillie, Steven; Malmqvist, Per Ake; Veryazov, Valera
err分享
err收藏
Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic tableMolcas 8: 跨周期表的多构型量子化学计算的新功能
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2015-11-12
err1.3K
errOAAI
errAquilante, Francesco; Autschbach, Jochen; Carlson, Rebecca K.; Chibotaru, Liviu F.; Delcey, Mickael G.; De Vico, Luca; Galvan, Ignacio Fdez; Ferre, Nicolas; Frutos, Luis Manuel; Gagliardi, Laura; Garavelli, Marco; Giussani, Angelo; Hoyer, Chad E.; Li Manni, Giovanni; Lischka, Hans; Ma, Dongxia; Malmqvist, Per Ake; Mueller, Thomas; Nenov, Artur; Olivucci, Massimo; Pedersen, Thomas Bondo; Peng, Daoling; Plasser, Felix; Pritchard, Ben; Reiher, Markus; Rivalta, Ivan; Schapiro, Igor; Segarra-Marti, Javier; Stenrup, Michael; Truhlar, Donald G.; Ungur, Liviu; Valentini, Alessio; Vancoillie, Steven; Veryazov, Valera; Vysotskiy, Victor P.; Weingart, Oliver; Zapata, Felipe; Lindh, Roland
err分享
err收藏
Theoretical Study of the Dissociation Energy of First-Row Metallocenium Ions
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2014-07-18
err12
errOAAI
errQuan Manh Phung; Vancoillie, Steven; Pierloot, Kristine
err分享
err收藏
Theoretical Modelling of Photoswitching of Hyperpolarisabilities in Ruthenium Complexes
errCHEMISTRY-A EUROPEAN JOURNAL
IF3.7
err2013-10-10
err28
errOAAI
errCoe, Benjamin J.; Avramopoulos, Aggelos; Papadopoulos, Manthos G.; Pierloot, Kristine; Vancoillie, Steven; Reis, Heribert
err分享
err收藏
Atomic Layer Deposition of Ruthenium on a Titanium Nitride Surface: A Density Functional Theory Study
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2013-09-11
err11
PREAI
errQuan Manh Phung; Vancoillie, Steven; Pourtois, Geoffrey; Swerts, Johan; Pierloot, Kristine; Delabie, Annelies
err分享
err收藏
Electronic Spectra of N-Heterocyclic Pentacyanoferrate(II) Complexes in Different Solvents, Studied by Multiconfigurational Perturbation Theory
errINORGANIC CHEMISTRY
IF4.7
err2013-08-30
err25
PREAI
errBarboza Formiga, Andre Luiz; Vancoillie, Steven; Pierloot, Kristine
err分享
err收藏
Parallelization of a multiconfigurational perturbation theory
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2013-06-07
err37
PREAI
errVancoillie, Steven; Delcey, Mickael G.; Lindh, Roland; Vysotskiy, Victor; Malmqvist, Per-Ake; Veryazov, Valera
err分享
err收藏
A Multiconfigurational Perturbation Theory and Density Functional Theory Study on the Heterolytic Dissociation Enthalpy of First-Row Metallocenes
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2012-03-02
err42
PREAI
errQuan Manh Phung; Vancoillie, Steven; Pierloot, Kristine
err分享
err收藏
Multiconfigurational Second-Order Perturbation Theory Restricted Active Space (RASPT2) Studies on Mononuclear First-Row Transition-Metal Systems
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2011-11-09
err122
PREAI
errVancoillie, Steven; Zhao, Hailiang; Van Tan Tran; Hendrickx, Marc F. A.; Pierloot, Kristine
err分享
err收藏
Multiconfigurational Second-Order Perturbation Theory Restricted Active Space (RASPT2) Method for Electronic Excited States: A Benchmark Study
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2010-12-08
err179
PREAI
errSauri, Vicenta; Serrano-Andres, Luis; Shahi, Abdul Rehaman Moughal; Gagliardi, Laura; Vancoillie, Steven; Pierloot, Kristine
err分享
err收藏
Copper Corroles: the Question of Noninnocence
errINORGANIC CHEMISTRY
IF4.7
err2010-10-21
err93
errOAAI
errPierloot, Kristine; Zhao, Hailiang; Vancoillie, Steven
err分享
err收藏
Performance of CASPT2 and DFT for Relative Spin-State Energetics of Heme Models
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2010-01-06
err151
errOAAI
errVancoillie, Steven; Zhao, Hailiang; Radon, Mariusz; Pierloot, Kristine
err分享
err收藏
Relative energy of the high-(5T2g) and low-(1A1g) spin states of the ferrous complexes [Fe(L)(NHS4)]:: CASPT2 versus density functional theory
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2008-01-16
err133
PREAI
errPierloot, Kristine; Vancoillie, Steven
err分享
err收藏
Relative energy of the high-(5T2g) and low-(1A1g) spin states of [Fe(H2O)6]2+, [Fe(NH3)6]2+, and [Fe(bpy)3]2+:: CASPT2 versus density functional theory
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2006-09-22
err188
PREAI
errPierloot, Kristine; Vancoillie, Steven
err分享
err收藏

研究方向

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Donald G. Truhlar
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M
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L
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H 指数: 84 · 论文数: 869
M
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