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Martin Kleinschmidt

institute of theoretical and computational chemistry, heinrich heine university düsseldorf, universitätsstr. 1, 40225 düsseldorf, germany

22H指数
49论文数
1.8K被引数
收录论文 21
发表时间
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The role of electron spin in molecular photochemical and photophysical processes: theory and experiment电子自旋在分子光化学和光物理过程中的作用：理论及实验
errPhys. Chem. Chem. Phys.
IF2.9
err2025-10-31
err0
PREAI
errShirin Faraji; Martin Kleinschmidt; Bernd Engels; Andreas Dreuw
err分享
err收藏
Substituted acridones: simple deep blue HIGHrISC emitters in an aprotic environment取代的吖啶酮：在非质子环境中简单深蓝色高RISC发射体
errPHYSICAL CHEMISTRY CHEMICAL PHYSICS
IF2.9
err2025-01-01
err0
errOAAI
errJantz, Matthias; Klaverkamp, David; Bunnemann, Lennart; Kleinschmidt, Martin; Czekelius, Constantin; Gilch, Peter
err分享
err收藏
Toward the improvement of vibronic spectra and non-radiative rate constants using the vertical Hessian method
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-09-05
err2
PREAI
errBoehmer, Tobias; Kleinschmidt, Martin; Marian, Christel M.
err分享
err收藏
A Case-Study on the Photophysics of Chalcogen-Substituted Zinc(II) Phthalocyanines
errCHEMISTRY-A EUROPEAN JOURNAL
IF3.7
err2024-04-22
err3
errOAAI
errRiega, Sergio D. Ezquerra; Suburu, Matias E. Gutierrez; Rodriguez, Hernan B.; Lantano, Beatriz; Kleinschmidt, Martin; Marian, Christel M.; Strassert, Cristian A.
err分享
err收藏
Internal conversion of singlet and triplet states employing numerical DFT/MRCI derivative couplings: Implementation, tests, and application to xanthone
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-07-02
err18
PREAI
errBracker, Mario; Marian, Christel M.; Kleinschmidt, Martin
err分享
err收藏
Visible Light-Induced Homolytic Cleavage of Perfluoroalkyl Iodides Mediated by Phosphines
errMOLECULES
IF4.6
err2020-04-01
err24
errOAAI
errBracker, Mario; Helmecke, Lucas; Kleinschmidt, Martin; Czekelius, Constantin; Marian, Christel M.
err分享
err收藏
The simulation of X-ray absorption spectra from ground and excited electronic states using core-valence separated DFT/MRCI
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2019-10-08
err27
PREAI
errSeidu, Issaka; Neville, Simon P.; Kleinschmidt, Martin; Heil, Adrian; Marian, Christel M.; Schuurman, Michael S.
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On the performance of DFT/MRCI Hamiltonians for electronic excitations in transition metal complexes: The role of the damping function (vol 149, 164106, 2018)
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2019-06-04
err0
errOAAI
errHeil, Adrian; Kleinschmidt, Martin; Marian, Christel M.
err分享
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On the performance of DFT/MRCI Hamiltonians for electronic excitations in transition metal complexes: The role of the damping function
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2018-10-26
err49
PREAI
errHeil, Adrian; Kleinschmidt, Martin; Marian, Christel M.
err分享
err收藏
The DFT/MRCI method
errWILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF27
err2018-10-23
err125
errOAAI
errMarian, Christel M.; Heil, Adrian; Kleinschmidt, Martin
err分享
err收藏
Assessment of Interstate Spin-Orbit Couplings from Linear Response Amplitudes
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2017-01-18
err15
PREAI
errDinkelbach, Fabian; Kleinschmidt, Martin; Marian, Christel M.
err分享
err收藏
Phosphorescence or Thermally Activated Delayed Fluorescence? Intersystem Crossing and Radiative Rate Constants of a Three-Coordinate Copper(I) Complex Determined by Quantum-Chemical Methods
errINORGANIC CHEMISTRY
IF4.7
err2016-07-18
err54
PREAI
errFoeller, Jelena; Kleinschmidt, Martin; Marian, Christel M.
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Redesign of the DFT/MRCI Hamiltonian
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2016-01-19
err114
PREAI
errLyskov, Igor; Kleinschmidt, Martin; Marian, Christel M.
err分享
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Quantum-Chemical Studies on Excitation Energy Transfer Processes in BODIPY-Based Donor-Acceptor Systems
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2015-08-10
err33
PREAI
errSpiegel, J. Dominik; Kleinschmidt, Martin; Larbig, Alexander; Tatchen, Joerg; Marian, Christel M.
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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.
err分享
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Calculating electron paramagnetic resonance g-matrices for triplet state molecules from multireference spin-orbit configuration interaction wave functions从多参考自旋轨道构型相互作用波函数计算三重态分子的电子顺磁共振g矩阵
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2009-04-17
err14
PREAI
errTatchen, Joerg; Kleinschmidt, Martin; Marian, Christel M.
err分享
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Parallel multireference configuration interaction calculations on mini-β-carotenes and β-carotene微型 β-胡萝卜素和 β-胡萝卜素的并行多参考构型相互作用计算
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2009-01-29
err97
PREAI
errKleinschmidt, Martin; Marian, Christel M.; Waletzke, Mirko; Grimme, Stefan
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SPOCK.CI: A multireference spin-orbit configuration interaction method for large molecules
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2006-03-22
err119
PREAI
errKleinschmidt, M; Tatchen, J; Marian, CM
err分享
err收藏
Electronic excitation spectra and singlet-triplet coupling in psoralen and its sulfur and selenium analogs
errJOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY
IF4.7
err2004-10-01
err22
PREAI
errTatchen, J; Kleinschmidt, M; Marian, CA
err分享
err收藏
Efficient calculation of electron paramagnetic resonance g-tensors by multireference configuration interaction sum-over-state expansions, using the atomic mean-field spin-orbit method
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2003-06-01
err41
PREAI
errBrownridge, S; Grein, F; Tatchen, J; Kleinschmidt, M; Marian, CM
err分享
err收藏

研究方向

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合作学者
合作期刊
S
Stefan Grimme
H 指数: 136 · 论文数: 1.5K
A
Andreas Dreuw
H 指数: 60 · 论文数: 646
C
Christel M. Marian
H 指数: 57 · 论文数: 344
B
Bernd Engels
H 指数: 54 · 论文数: 598
C
Christoph van Wüllen
H 指数: 44 · 论文数: 172
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