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1

An Efficient Hartree-Fock Implementation Based on the Contraction of Integrals in the Primitive Basis

Held, Joseph, Hanrath, Michael, Dolg, Michael

Journal:

Journal of Chemical Theory and Computation

Année:

2018

Langue:

english

Fichier:

PDF, 1.21 MB

english, 2018

2

Wavefunction quality and error estimation of single- and multi-reference coupled-cluster and CI methods: The model system

Michael Hanrath

Journal:

Chemical Physics Letters

Année:

2008

Langue:

english

Fichier:

PDF, 545 KB

english, 2008

3

Automatic routing of Goldstone diagrams using genetic algorithms

Herrmann, Nils, Hanrath, Michael

Journal:

Theoretica Chimica Acta

Année:

2019

Langue:

english

Fichier:

PDF, 2.08 MB

english, 2019

4

Zwei neue thermische Diradikal- Cyclisierungen von Eninketeniminen: Theorie, Experiment und Synthesepotential

Michael Schmittel, Jens-Peter Steffen, Miguel Á. Wencesla Ángel, Bernd Engels, Christian Lennartz, Michael Hanrath

Journal:

Angewandte Chemie

Année:

1998

Langue:

german

Fichier:

PDF, 101 KB

german, 1998

5

Regioselektivität der Diradikal-Cyclisierung von Eninallenen: Einfluß der Substituenten auf den Wechsel von der Myers-Saito- zur C2-C6-Cyclisierung

Bernd Engels, Christian Lennartz, Michael Hanrath, Michael Schmittel, Marc Strittmatter

Journal:

Angewandte Chemie

Année:

1998

Langue:

german

Fichier:

PDF, 167 KB

german, 1998

6

Zwei neue thermische Diradikal-Cyclisierungen in Theorie und Experiment: neue Syntheserouten zu 6H-Indolo[2,3-b]chinolinen und 2-Aminochinolinen aus Enincarbodiimiden

Michael Schmittel, Jens-Peter Steffen, Bernd Engels, Christian Lennartz, Michael Hanrath

Journal:

Angewandte Chemie

Année:

1998

Langue:

german

Fichier:

PDF, 102 KB

german, 1998

7

Two Novel Thermal Biradical Cyclizations of Enyne-Ketenimines: Theory, Experiment, and Synthetic Potential

Michael Schmittel, Jens-Peter Steffen, Miguel Á. Wencesla Ángel, Bernd Engels, Christian Lennartz, Michael Hanrath

Journal:

Angewandte Chemie International Edition

Année:

1998

Langue:

english

Fichier:

PDF, 110 KB

english, 1998

8

Regioselectivity of Biradical Cyclizations of Enyne-Allenes: Influence of Substituents on the Switch from the Myers–Saito to the Novel C2–C6 Cyclization

Bernd Engels, Christian Lennartz, Michael Hanrath, Michael Schmittel, Marc Strittmatter

Journal:

Angewandte Chemie International Edition

Année:

1998

Langue:

english

Fichier:

PDF, 179 KB

english, 1998

9

Two Novel Thermal Biradical Cyclizations in Theory and Experiment: New Synthetic Routes to 6H-Indolo[2,3-b]quinolines and 2-Aminoquinolines from Enyne-Carbodiimides

Michael Schmittel, Jens-Peter Steffen, Bernd Engels, Christian Lennartz, Michael Hanrath

Journal:

Angewandte Chemie International Edition

Année:

1998

Langue:

english

Fichier:

PDF, 111 KB

english, 1998

10

Ab Initio Investigation of the … π2g (X3Σ−g, 11Δg, 11Σ+g) Electronic States of NCN. Study of the Renner–Teller Effect in the 11Δg State

Miljenko Perić, Marija Krmar, Jelena Radić-Perić, Michael Hanrath

Journal:

Journal of Molecular Spectroscopy

Année:

2000

Langue:

english

Fichier:

PDF, 135 KB

english, 2000

11

Using symmetry in the framework of the incremental scheme: Molecular applications

Joachim Friedrich, Michael Hanrath, Michael Dolg

Journal:

Chemical Physics

Année:

2008

Langue:

english

Fichier:

PDF, 319 KB

english, 2008

12

Error analysis of incremental electron correlation calculations and applications to clusters and potential energy surfaces

Joachim Friedrich, Michael Hanrath, Michael Dolg

Journal:

Chemical Physics

Année:

2007

Langue:

english

Fichier:

PDF, 561 KB

english, 2007

13

On the concepts of connectivity, separability, and consistency: An illustration by partitioned diagrams and numerical probing

Michael Hanrath

Journal:

Chemical Physics

Année:

2009

Langue:

english

Fichier:

PDF, 541 KB

english, 2009

14

Molecular results for the Hartree–Fock–Wigner model

Rebecca Fondermann, Michael Hanrath, Michael Dolg, Darragh P. O’Neill

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 216 KB

english, 2005

15

Initial applications of an exponential multi-reference wavefunction ansatz

Michael Hanrath

Journal:

Chemical Physics Letters

Année:

2006

Langue:

english

Fichier:

PDF, 288 KB

english, 2006

16

Multi-reference coupled-cluster study of the potential energy surface of the hydrogen fluoride dissociation including excited states

Anna Engels-Putzka, Michael Hanrath

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

2009

Langue:

english

Fichier:

PDF, 379 KB

english, 2009

17

The electronic spectrum of linear and rhombic C4

Max Mühlhäuser, George E Froudakis, Michael Hanrath, Sigrid D Peyerimhoff

Journal:

Chemical Physics Letters

Année:

2000

Langue:

english

Fichier:

PDF, 77 KB

english, 2000

18

The electronic spectrum of C5

Michael Hanrath, Sigrid D. Peyerimhoff

Journal:

Chemical Physics Letters

Année:

2001

Langue:

english

Fichier:

PDF, 131 KB

english, 2001

19

Study of possible photodissociation channels in linear carbon clusters Cn (n=4–6)

Zexing Cao, Max Mühlhäuser, Michael Hanrath, Sigrid D. Peyerimhoff

Journal:

Chemical Physics Letters

Année:

2002

Langue:

english

Fichier:

PDF, 98 KB

english, 2002

20

Individually selecting multi-reference CI and its application to biradicalic cyclizations

Bernd Engels, Michael Hanrath, Christian Lennartz

Journal:

Computers & Chemistry

Année:

2001

Langue:

english

Fichier:

PDF, 340 KB

english, 2001

21

Theoretical studies on the electronic spectra of cyclic C6, in D3h and D6h symmetries

Fritz Grein, Jan Franz, Michael Hanrath, Sigrid D Peyerimhoff

Journal:

Chemical Physics

Année:

2001

Langue:

english

Fichier:

PDF, 98 KB

english, 2001

22

Theoretical studies on the electronic spectrum of linear C6

Michael Hanrath, Sigrid D Peyerimhoff, Fritz Grein

Journal:

Chemical Physics

Année:

1999

Langue:

english

Fichier:

PDF, 159 KB

english, 1999

23

The performance of the Hartree–Fock–Wigner correlation model for light diatomic molecules

Rebecca Fondermann, Michael Hanrath, Michael Dolg

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Année:

2007

Langue:

english

Fichier:

PDF, 318 KB

english, 2007

24

An exponential multi-reference wavefunction ansatz: connectivity analysis and application to N2

Michael Hanrath

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Année:

2008

Langue:

english

Fichier:

PDF, 359 KB

english, 2008

25

A multi-reference coupled-cluster study on the potential energy surface of N2including ground and excited states: spin projections and wavefunction overlaps

Michael Hanrath, Anna Engels-Putzka

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Année:

2009

Langue:

english

Fichier:

PDF, 736 KB

english, 2009

26

The structure of C6Si

Aristides Zdetsis, Bernd Engels, Michael Hanrath, Sigrid D Peyerimhoff

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 797 KB

english, 1999

27

Successful Treatment of Massive Pulmonary Embolism by Combined Mechanical and Thrombolytic Therapy

MARTIN SIGMUND, MICHAEL RUBART, JUERGEN VOM DAHL, RAINER UEBIS, PETER HANRATH

Journal:

Journal of Interventional Cardiology

Année:

1991

Langue:

english

Fichier:

PDF, 2.14 MB

english, 1991

28

Preserved Parasympathetic Cardiac Innervation after Atrioventricular Node Modification: Evidence from Circle Maps of Respiratory Sinus Arrhythmia

Markus Zarse, Kai Ulf Markus, Michael Schiek, Patrick Schauerte, Anil Martin Sinha, Friedhelm Drepper, Horst Halling, Peter Hanrath, Christoph Stellbrink

Journal:

Journal of Interventional Cardiac Electrophysiology

Année:

2002

Langue:

english

Fichier:

PDF, 279 KB

english, 2002

29

Comparison of left ventricular lead placement via the coronary venous approach versus lateral thoracotomy in patients receiving cardiac resynchronization therapy

Ralf Koos, Anil-Martin Sinha, Kai Markus, Ole-Alexander Breithardt, Karl Mischke, Markus Zarse, Michael Schmid, Rüdiger Autschbach, Peter Hanrath, Christoph Stellbrink

Journal:

The American Journal of Cardiology

Année:

2004

Langue:

english

Fichier:

PDF, 174 KB

english, 2004

30

Wavefunction quality of single- and multi-reference coupled-cluster and configuration interaction methods: The P4 and H8 model systems

Daniel Pape, Michael Hanrath

Journal:

Chemical Physics

Année:

2012

Langue:

english

Fichier:

PDF, 832 KB

english, 2012

31

Relation of stent design and stent surface material to subsequent in-stent intimal hyperplasia in coronary arteries determined by intravascular ultrasound

Rainer Hoffmann, Gary S Mintz, Philipp K Haager, Togul Bozoglu, Eberhard Grube, Michael Gross, Christian Beythien, Harald Mudra, Jürgen vom Dahl, Peter Hanrath

Journal:

The American Journal of Cardiology

Année:

2002

Langue:

english

Fichier:

PDF, 87 KB

english, 2002

32

Potential benefit of biventricular pacing in patients with congestive heart failure and ventricular tachyarrhythmia

Christoph Stellbrink, Angelo Auricchio, Björn Diem, Ole-Alexander Breithardt, Michael Kloss, Friedrich A. Schöndube, Helmut Klein, Bruno J. Messmer, Peter Hanrath

Journal:

The American Journal of Cardiology

Année:

1999

Langue:

english

Fichier:

PDF, 516 KB

english, 1999

33

Solventless Synthesis of Monodisperse Cu2S Nanorods, Nanodisks, and Nanoplatelets

Korgel, Brian A., Sigman, Michael B., Ghezelbash, Ali, Hanrath, Tobias, Saunders, Aaron E., Lee, Frank

Journal:

Journal of the American Chemical Society

Année:

2003

Langue:

english

Fichier:

PDF, 997 KB

english, 2003

34

Transesophageal 2-D echocardiographic feature of flail mitral leaflet due to ruptured chordae tendineae

Michael Schlüter, Peter Kremer, Peter Hanrath

Journal:

American Heart Journal

Année:

1984

Langue:

english

Fichier:

PDF, 992 KB

english, 1984

35

Detection of mitral and aortic regurgitation by transesophageal pulsed Doppler echocardiography

Burkhart Langenstein, Michael Schlüter, Peter Hanrath, Peter Kremer, Walter Bleifeld

Journal:

The American Journal of Cardiology

Année:

1982

Langue:

english

Fichier:

PDF, 146 KB

english, 1982

36

Detection of atrial septal defect by transesophageal cross-sectional contrast echocardiography

Burkhart A. Langenstein, Peter Hanrath, Julia Polster, Michael Schlütler, Peter Kremer, Stefan Engel, Jacques Souquet

Journal:

The American Journal of Cardiology

Année:

1982

Langue:

english

Fichier:

PDF, 173 KB

english, 1982

37

Influence of verapamil therapy on left ventricular performance at rest and during exercise in hypertrophic cardiomyopathy

Peter Hanrath, Michael Schlüter, Frank Sonntag, Jörg Diemert, Walter Bleifeld

Journal:

The American Journal of Cardiology

Année:

1983

Langue:

english

Fichier:

PDF, 658 KB

english, 1983

38

Cysts in left atrial myxomas identified by transesophageal cross-sectional echocardiography

Wolfgang Thier, Michael Schlüter, Hans-Joachim Krebber, Michael-Jürgen Polonius, Günter Klöppel, Klaus Becker, Peter Hanrath

Journal:

The American Journal of Cardiology

Année:

1983

Langue:

english

Fichier:

PDF, 654 KB

english, 1983

39

Transesophageal two-dimensional echocardiography: Comparison of ultrasonic and anatomic sections

Michael Schlüter, Andreas Hinrichs, Wolfgang Thier, Peter Kremer, Sören Schröder, Michael K. Cahalan, Peter Hanrath

Journal:

The American Journal of Cardiology

Année:

1984

Langue:

english

Fichier:

PDF, 4.00 MB

english, 1984

40

Association of echocardiographic atrial size and atrial fibrosis in a sequential model of congestive heart failure and atrial fibrillation

Christian Knackstedt, Felix Gramley, Thomas Schimpf, Karl Mischke, Markus Zarse, Jurgita Plisiene, Michael Schmid, Johann Lorenzen, Dirk Frechen, Philipp Neef, Peter Hanrath, Malte Kelm, Patrick Schau

Journal:

Cardiovascular Pathology

Année:

2008

Langue:

english

Fichier:

PDF, 282 KB

english, 2008

41

Transesophageal two-dimensional echocardiography in the diagnosis of cor triatriatum in the adult

Michael SchlÜter, Burkhart A. Langenstein, Wolfgang Thier, Wolff-Helmut Schmiegel, Hans-Joachim Krebber, Peter Kalmar, Peter Hanrath

Journal:

Journal of the American College of Cardiology

Année:

1983

Langue:

english

Fichier:

PDF, 821 KB

english, 1983

42

Multi-reference coupled-cluster study of the ionic-neutral curve crossing LiF

Hanrath, Michael

Journal:

Molecular Physics

Année:

2008

Langue:

english

Fichier:

PDF, 187 KB

english, 2008

43

Dissociating N 2 : a multi-reference coupled cluster study on the potential energy surfaces of ground and excited states

Engels-Putzka, Anna, Hanrath, Michael

Journal:

Molecular Physics

Année:

2009

Langue:

english

Fichier:

PDF, 243 KB

english, 2009

44

Pulsed Laser Annealing of Thin Films of Self-Assembled Nanocrystals

Baumgardner, William J., Choi, Joshua J., Bian, Kaifu, Fitting Kourkoutis, Lena, Smilgies, Detlef-M., Thompson, Michael O., Hanrath, Tobias

Journal:

Année:

2011

Langue:

english

Fichier:

PDF, 5.45 MB

english, 2011

45

Thermally Induced Structural Evolution and Performance of Mesoporous Block Copolymer-Directed Alumina Perovskite Solar Cells

Tan, Kwan Wee, Moore, David T., Saliba, Michael, Sai, Hiroaki, Estroff, Lara A., Hanrath, Tobias, Snaith, Henry J., Wiesner, Ulrich

Journal:

Année:

2014

Langue:

english

Fichier:

PDF, 5.37 MB

english, 2014

46

Energy Screening for the Incremental Scheme: Application to Intermolecular Interactions

Friedrich, Joachim, Hanrath, Michael, Dolg, Michael

Journal:

Journal of Physical Chemistry A

Année:

2007

Langue:

english

Fichier:

PDF, 223 KB

english, 2007

47

Inverse Opal Nanocrystal Superlattice Films

Saunders, Aaron E., Shah, Parag S., Sigman,, Michael B., Hanrath, Tobias, Hwang, Ha Soo, Lim, Kwon T., Johnston, Keith P., Korgel, Brian A.

Journal:

Année:

2004

Langue:

english

Fichier:

PDF, 597 KB

english, 2004

48

Evaluation of Incremental Correlation Energies for Open-Shell Systems: Application to the Intermediates of the 4-Exo Cyclization, Arduengo Carbenes and an Anionic Water Cluster

Friedrich, Joachim, Hanrath, Michael, Dolg, Michael

Journal:

Journal of Physical Chemistry A

Année:

2008

Langue:

english

Fichier:

PDF, 167 KB

english, 2008

49

Do primary nitrosamines form and exist in the gas phase? A computational study of CH3NHNO and (CH3)2NNO

Tang, Yizhen, Hanrath, Michael, Nielsen, Claus Jørgen

Journal:

Physical Chemistry Chemical Physics

Année:

2012

Langue:

english

Fichier:

PDF, 854 KB

english, 2012

50

Electronic absorption spectra of linear C[sub 6], C[sub 8] and cyclic C[sub 10], C[sub 12] in neon matrices

Grutter, Michel, Wyss, Muriel, Riaplov, Evgueni, Maier, John P., Peyerimhoff, Sigrid D., Hanrath, Michael

Journal:

The Journal of Chemical Physics

Année:

1999

Langue:

english

Fichier:

PDF, 310 KB

english, 1999