Journals/Literature

29.

M. Hanrath:
"An exponential multi-reference wavefunction ansatz: connectivity analysis and application to N2"
Theor. Chem. Acc. 0 (2008) DOI:10.1007/s00214-008-0464-1

28.

M. Hanrath:
"Multi-reference coupled-cluster study of the ionic-neutral curve crossing LiF"
Mol. Phys., accepted 0 (2008)

27.

Michael Hanrath:
"Higher excitations for an exponential multireference wavefunction Ansatz and single-reference based multireference coupled cluster Ansatz: Application to model systems H4, P4, and BeH2"
J. Chem. Phys. 128 (2008) 154118 DOI:10.1063/1.2899645

26.

J. Friedrich and M. Hanrath and M. Dolg:
"Using symmetry in the framework of the incremental scheme: Molecular applications"
Chem. Phys. 346 (2008) 266 DOI:10.1016/j.chemphys.2008.01.054

25.

R. Fondermann and M. Hanrath and M. Dolg:
"The performance of the Hartree-Fock-Wigner correlation model for light diatomic molecules"
Theoretical Chemistry Accounts 118 (2007) 777 DOI:10.1007/s00214-007-0360-0

24.

J. Friedrich and M. Hanrath and M. Dolg:
"Energy Screening for the Incremental Scheme: Application to Intermolecular Interactions"
Journal of Physical Chemistry A 111 (2007) 9830 DOI:10.1021/jp072256y

23.

J. Friedrich and M. Hanrath and M. Dolg:
"Fully automated implementation of the incremental scheme: Application to CCSD energies for hydrocarbons and transition metal compounds"
J. Chem. Phys. 126 (2007) 154110 DOI:10.1063/1.2721538

22.

J. Friedrich and M. Hanrath and M. Dolg:
"Error analysis of incremental electron correlation calculations and applications to clusters and potential energy surfaces"
Chem. Phys. 338 (2007) 33 DOI:10.1016/j.chemphys.2007.07.021

21.

M. Hanrath:
"Initial applications of an exponential multi-reference wavefunction ansatz"
Chem. Phys. Lett. 420 (2006) 426 DOI:10.1016/j.cplett.2006.01.014

20.

M. Hanrath:
"An Exponential Multi-Reference Wavefunction Ansatz"
J. Chem. Phys. 123 (2005) 84102 DOI:10.1063/1.1953407

19.

R. Fondermann and M. Hanrath and M. Dolg and D. P. O'Neill:
"Molecular results for the Hartree-Fock-Wigner model"
Chem. Phys. Lett. 413 (2005) 237 DOI:10.1016/j.cplett.2005.07.090

18.

J. Franz and S. D. Peyerimhoff and M. Hanrath and O. H. Kwon and D. J. Jang:
"Ab initio study of the electronic spectrum of 7-hydroxyquinoline"
Chem. Lett. 34 (2005) 330 DOI:10.1246/cl.2005.330

17.

A. Niesert and M. Hanrath and S. Siggel and M. Jansen and K. Langer:
"Theoretical study of the polarized electronic absorption spectra of vanadium-doped zircon"
J. Solid State Chem. 169 (2002) 6 DOI:10.1016/S0022-4596(02)00010-5

16.

X. Z. Cao and M. Mühlhäuser and M. Hanrath and S. D. Peyerimhoff:
"Study of possible photodissociation channels in linear carbon clusters C_n (n=4-6)"
Chem. Phys. Lett. 351 (2002) 327 DOI:10.1016/S0009-2614(01)01373-2

15.

B. Engels and M. Hanrath and C. Lennartz:
"Individually selecting multi-reference CI and its application to biradicalic cyclizations"
Computers & Chemistry 25 (2001) 15 DOI:10.1016/S0097-8485(00)00086-3

14.

M. Hanrath and S. D. Peyerimhoff:
"The electronic spectrum of C₅"
Chem. Phys. Lett. 337 (2001) 368 DOI:10.1016/S0009-2614(01)00130-0

13.

F. Grein and J. Franz and M. Hanrath and S. D. Peyerimhoff:
"Theoretical studies on the electronic spectra of cyclic C₆, in D_3h and D_6h symmetries"
Chem. Phys. 263 (2001) 55 DOI:10.1016/S0301-0104(00)00343-8

12.

M. Peric and M. Krmar and J. Radic-Peric and M. Hanrath:
"Ab Initio Investigation of the ...$\pi^{2}_{g}$(X³$\Sigma_{g}^{-}$, 1¹$\Delta_{g}^{}$, 1¹$\Sigma_{g}^{+}$) Electronic States of NCN. Study of the Renner-Teller Effect in the 1¹$\Delta_{g}^{}$"
J. Mol. Spect. 204 (2000) 226 DOI:10.1006/jmsp.2000.8222

11.

M. Mühlhäuser and E. G. Froudakis and M. Hanrath and S. D. Peyerimhoff:
"The electronic spectrum of linear and rhombic C₄"
Chem. Phys. Lett. 324 (2000) 195 DOI:10.1016/S0009-2614(00)00576-5

10.

I. Adamovic and M. Parac and M. Hanrath and M. Peric:
"Ab initio study of the electronic spectrum of BeO"
J. Serb. Chem. Soc. 64 (1999) 721

9.

M. Grutter and M. Wyss and E. Riaplov and J. P. Maier and S. D. Peyerimhoff and M. Hanrath:
"Electronic absorption spectra of linear C₆, C₈, and cyclic C₁₀, C₁₂ in neon matrices"
J. Chem. Phys. 111 (1999) 7397 DOI:10.1063/1.480062

8.

A. Zdetsis and B. Engels and M. Hanrath and S. D. Peyerimhoff:
"The structure of C₆Si"
Chem. Phys. Lett. 302 (1999) 288 DOI:10.1016/S0009-2614(99)00070-6

7.

M. Hanrath and S. D. Peyerimhoff and F. Grein:
"Theoretical studies on the electronic spectrum of linear C₆"
Chem. Phys. 249 (1999) 121 DOI:10.1016/S0301-0104(99)00273-6

6.

B. Engels and M. Hanrath:
"A theoretical comparison of two competing diradical cyclizations in enyne-allenes: The Myers-Saito and the novel C-2-C-6 cyclization"
J. Am. Chem. Soc. 120 (1998) 6356 DOI:10.1021/ja973051d

5.

M. Peric and B. Engels and M. Hanrath:
"Ab initio study of the electronic spectrum of C₂H₂⁺. I. Vertical spectrum and angular potential curves"
Chem. Phys. 238 (1998) 33 DOI:10.1016/S0301-0104(98)00294-8

4.

M. Schmittel and P. J. Steffen and B. Engels and C. Lennartz and M. Hanrath:
"Two novel thermal biradical cyclizations in theory and experiment: New synthetic routes to 6H-indolo[2,3-b]quinolines and 2-amino-quinolines from enyne-carbodiimides"
Angew. Chem. Int. Ed. 37 (1998) 2371 DOI:10.1002/(SICI)1521-3773(19980918)37:17<2371::AID-ANIE2371>3.0.CO;2-N

3.

B. Engels and C. Lennartz and M. Hanrath and M. Schmittel and M. Strittmatter:
"Regioselectivity of biradical cyclizations of enyne-allenes: Influence of substituents on the switch from the Myers-Saito to the novel C-2-C-6 cyclization"
Angew. Chem. Int. Ed. 37 (1998) 1960 DOI:10.1002/(SICI)1521-3773(19980803)37:13/14<1960::AID-ANIE1960>3.0.CO;2-3

2.

M. Schmittel and P. J. Steffen and W. A. M. Angel and B. Engels and C. Lennartz and M. Hanrath:
"Two novel thermal biradical cyclizations of enyne-ketenimines: Theory, experiment, and synthetic potential"
Angew. Chem. Int. Ed. 37 (1998) 1562 DOI:10.1002/(SICI)1521-3773(19980619)37:11<1562::AID-ANIE1562>3.0.CO;2-H

1.

M. Hanrath and B. Engels:
"New algorithms for an individually selecting MR-CI program"
Chem. Phys. 225 (1997) 197 DOI:10.1016/S0301-0104(97)00241-3