1[期刊论文]

Spin–orbit coupling in keto-porphyrins

作者：Martin Kleinschmidt ;Christel M. Marian

来源：Chemical Physics Letters. 2008 ;458(1-3):190-194.doi:10.1016/j.cplett.2008.04.090

出版社：Elsevier BV

全文购买

2[期刊论文]

Efficient generation of matrix elements for one-electron spin–orbit operators

作者：Martin Kleinschmidt ;Christel M. Marian

来源：Chemical Physics. 2005 ;311(1-2):71-79.doi:10.1016/j.chemphys.2004.10.025

出版社：Elsevier BV

全文购买

3[期刊论文]

On the performance of DFT/MRCI Hamiltonians for electronic excitations in transition metal complexes: The role of the damping function

作者：Adrian Heil ;Martin Kleinschmidt ;Christel M. Marian

来源：The Journal of Chemical Physics. 2018 ;149(16):164106.doi:10.1063/1.5050476

出版社：AIP Publishing

全文购买

4[期刊论文]

Redesign of the DFT/MRCI Hamiltonian

作者：Igor Lyskov ;Martin Kleinschmidt ;Christel M. Marian

来源：The Journal of Chemical Physics. 2016 ;144(3):034104.doi:10.1063/1.4940036

出版社：AIP Publishing

全文购买

5[期刊论文]

SPOCK.CI : A multireference spin-orbit configuration interaction method for large molecules

作者：Martin Kleinschmidt ;Jörg Tatchen ;Christel M. Marian

来源：The Journal of Chemical Physics. 2006 ;124(12):124101.doi:10.1063/1.2173246

出版社：AIP Publishing

全文购买

6[期刊论文]

Calculating electron paramagnetic resonance g-matrices for triplet state molecules from multireference spin-orbit configuration interaction wave functions

作者：Jörg Tatchen ;Martin Kleinschmidt ;Christel M. Marian

来源：The Journal of Chemical Physics. 2009 ;130(15):154106.doi:10.1063/1.3115965

出版社：AIP Publishing

全文购买

7[期刊论文]

Electronic excitation spectra and singlet–triplet coupling in psoralen and its sulfur and selenium analogs

作者：Jörg Tatchen ;Martin Kleinschmidt ;Christel M. Marian

来源：Journal of Photochemistry and Photobiology A: Chemistry. 2004 ;167(2-3):201-212.doi:10.1016/j.jphotochem.2004.05.026

出版社：Elsevier BV

全文购买

8[期刊论文]

The photophysics of 7H-adenine: A quantum chemical investigation including spin–orbit effects

作者：Christel M. Marian ;Martin Kleinschmidt ;Jörg Tatchen

来源：Chemical Physics. 2008 ;347(1-3):346-359.doi:10.1016/j.chemphys.2007.08.015

出版社：Elsevier BV

全文购买

9[期刊论文]

Design of a Modular Immunotoxin Connected by Polyionic Adapter Peptides

作者：Martin Kleinschmidt ;Rainer Rudolph ;Hauke Lilie

来源：Journal of Molecular Biology. 2003 ;327(2):445-452.doi:10.1016/S0022-2836(03)00141-4

出版社：Elsevier BV

全文购买

10[期刊论文]

Kramers-Type Splitting in the X2Π and a4Σ− States of CH and CD Calculated in a Hund's Case (a) Basis

作者：Martin Kleinschmidt ;Timo Fleig ;Christel M. Marian

来源：Journal of Molecular Spectroscopy. 2002 ;211(2):179-188.doi:10.1006/jmsp.2001.8502

出版社：Elsevier BV

全文购买