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1

Cation Charge Density and Precatalyst Selection in Group 2-Catalyzed Aminoalkene Hydroamination

Arrowsmith, Merle, Crimmin, Mark R., Barrett, Anthony G. M., Hill, Michael S., Kociok-Köhn, Gabriele, Procopiou, Panayiotis A.

Journal:

Organometallics

Year:

2011

Language:

english

File:

PDF, 2.78 MB

english, 2011

2

Half-sandwich rhenium(III) acyl complexes: synthesis, structure and conversion to rhenium(I) and rhenium(III) isonitrile complexes

Alexander C. Filippou, Bernhard Lungwitz, Gabriele Kociok-Ko¨hn, Isolde Hinz

Journal:

Journal of Organometallic Chemistry

Year:

1996

Language:

english

File:

PDF, 2.03 MB

english, 1996

3

Characterization of Lipid-Templated Silica and Hybrid Thin Film Mesophases by Grazing Incidence Small-Angle X-ray Scattering

Dunphy, Darren R., Alam, Todd M., Tate, Michael P., Hillhouse, Hugh W., Smarsly, Bernd, Collord, Andrew D., Carnes, Eric, Baca, Helen K., Köhn, Ralf, Sprung, Michael

Journal:

Year:

2009

Language:

english

File:

PDF, 4.01 MB

english, 2009

4

Pilot applications of internally contracted multireference coupled cluster theory, and how to choose the cluster operator properly

Hanauer, Matthias, Köhn, Andreas

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 819 KB

english, 2011

5

Asymmetric Synthesis of Chiral δ-Lactones Containing Multiple Contiguous Stereocenters

Peed, Jennifer, Periñán Domínguez, Ignacio, Davies, Iwan R., Cheeseman, Matt, Taylor, James E., Kociok-Köhn, Gabriele, Bull, Steven D.

Journal:

Organic Letters

Year:

2011

Language:

english

File:

PDF, 779 KB

english, 2011

6

Communication: Restoring full size extensivity in internally contracted multireference coupled cluster theory

Hanauer, Matthias, Köhn, Andreas

Journal:

The Journal of Chemical Physics

Year:

2012

Language:

english

File:

PDF, 328 KB

english, 2012

7

Suppression of Schlenk Equilibration and Heavier Alkaline Earth Alkyl Catalysis: A Dearomatization Strategy

Arrowsmith, Merle, Hill, Michael S., Kociok-Köhn, Gabriele

Journal:

Organometallics

Year:

2011

Language:

english

File:

PDF, 942 KB

english, 2011

8

Triazenide Complexes of the Heavier Alkaline Earths: Synthesis, Characterization, And Suitability for Hydroamination Catalysis

Barrett, Anthony G. M., Crimmin, Mark R., Hill, Michael S., Hitchcock, Peter B., Kociok-Köhn, Gabriele, Procopiou, Panayiotis A.

Journal:

Inorganic Chemistry

Year:

2008

Language:

english

File:

PDF, 1.13 MB

english, 2008

9

Bis(imidazolin-2-ylidene-1-yl)borate Complexes of the Heavier Alkaline Earths: Synthesis and Studies of Catalytic Hydroamination

Arrowsmith, Merle, Hill, Michael S., Kociok-Köhn, Gabriele

Journal:

Organometallics

Year:

2009

Language:

english

File:

PDF, 449 KB

english, 2009

10

Stereoselective Double Friedel−Crafts Alkylation of Indoles with Divinyl Ketones

Silvanus, Andrew C., Heffernan, Stephen J., Liptrot, David J., Kociok-Köhn, Gabriele, Andrews, Benjamin I., Carbery, David R.

Journal:

Organic Letters

Year:

2009

Language:

english

File:

PDF, 118 KB

english, 2009

11

Electrodeposition of Copper and Silver Nanowires in Hierarchical Mesoporous Silica/Anodic Alumina Nanostructures

Keilbach, Andreas, Moses, James, Köhn, Ralf, Döblinger, Markus, Bein, Thomas

Journal:

Chemistry of Materials

Year:

2010

Language:

english

File:

PDF, 994 KB

english, 2010

12

Excited States of [3.3](4,4′)Biphenylophane: The Role of Charge-Transfer Excitations in Dimers With π−π Interaction

Pabst, Mathias, Köhn, Andreas

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 439 KB

english, 2010

13

The Metastasis-Promoting Phosphatase PRL-3 Shows Activity toward Phosphoinositides

McParland, Victoria, Varsano, Giulia, Li, Xun, Thornton, Janet, Baby, Jancy, Aravind, Ajay, Meyer, Christoph, Pavic, Karolina, Rios, Pablo, Köhn, Maja

Journal:

Year:

2011

Language:

english

File:

PDF, 3.53 MB

english, 2011

14

Pyridine Adducts of Nickel(II) Xanthates as Single-Source Precursors for the Aerosol-Assisted Chemical Vapor Deposition of Nickel Sulfide

Alam, Naveed, Hill, Michael S., Kociok-Köhn, Gabriele, Zeller, Matthias, Mazhar, Muhammad, Molloy, Kieran C.

Journal:

Chemistry of Materials

Year:

2008

Language:

english

File:

PDF, 864 KB

english, 2008

15

Diorganotin-Based Coordination Polymers Derived from Sulfonate/Phosphonate/Phosphonocarboxylate Ligands

Shankar, Ravi, Jain, Archana, Kociok-Köhn, Gabriele, Molloy, Kieran C.

Journal:

Inorganic Chemistry

Year:

2011

Language:

english

File:

PDF, 5.81 MB

english, 2011

16

Full-wave modeling of the O–X mode conversion in the Pegasus toroidal experiment

Köhn, A., Jacquot, J., Bongard, M. W., Gallian, S., Hinson, E. T., Volpe, F. A.

Journal:

Physics of Plasmas

Year:

2011

Language:

english

File:

PDF, 4.60 MB

english, 2011

17

The Triplet Excimer of Naphthalene: A Model System for Triplet−Triplet Interactions and Its Spectral Properties

Pabst, Mathias, Lunkenheimer, Bernd, Köhn, Andreas

Journal:

The Journal of Physical Chemistry C

Year:

2011

Language:

english

File:

PDF, 2.84 MB

english, 2011

18

Can coupled-cluster theory treat conical intersections?

Köhn, Andreas, Tajti, Attila

Journal:

The Journal of Chemical Physics

Year:

2007

Language:

english

File:

PDF, 313 KB

english, 2007

19

Stereoselective Synthesis of Cyclohexanones via Phase Transfer Catalyzed Double Addition of Nucleophiles to Divinyl Ketones.

Silvanus, Andrew C., Groombridge, Benjamin J., Andrews, Benjamin I., Kociok-Köhn, Gabriele, Carbery, David R.

Journal:

Journal of Organic Chemistry

Year:

2010

Language:

english

File:

PDF, 910 KB

english, 2010

20

Anion Complexation by Triazolium “Ligands”: Mono- and Bis-tridentate Complexes of Sulfate

Schulze, Benjamin, Friebe, Christian, Hager, Martin D., Günther, Wolfgang, Köhn, Uwe, Jahn, Burkhard O., Görls, Helmar, Schubert, Ulrich S.

Journal:

Organic Letters

Year:

2010

Language:

english

File:

PDF, 1.61 MB

english, 2010

21

Orbital-optimized coupled-cluster theory does not reproduce the full configuration-interaction limit

Köhn, Andreas, Olsen, Jeppe

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 216 KB

english, 2005

22

Organozinc Aminoalcoholates: Synthesis, Structure, and Materials Chemistry

Johnson, Andrew L., Hollingsworth, Nathan, Kociok-Köhn, Gabriele, Molloy, Kieran C.

Journal:

Inorganic Chemistry

Year:

2008

Language:

english

File:

PDF, 1.15 MB

english, 2008

23

Organocadmium Aminoalcoholates: Synthesis, Structure, and Materials Chemistry

Johnson, Andrew L., Hollingsworth, Nathan, Kociok-Köhn, Gabriele, Molloy, Kieran C.

Journal:

Inorganic Chemistry

Year:

2008

Language:

english

File:

PDF, 2.53 MB

english, 2008

24

Facile Synthesis of Novel Two- And Three-Dimensional Coordination Polymers Containing Dialkyltin Phosphonate-Based Tri/Tetra-Nuclear Clusters with Appended Sulfonate Groups

Shankar, Ravi, Jain, Archana, Singh, Atul Pratap, Kociok-Köhn, Gabriele, Molloy, Kieran C.

Journal:

Inorganic Chemistry

Year:

2009

Language:

english

File:

PDF, 4.18 MB

english, 2009

25

Structural Study of the Reaction of Methylzinc Amino Alcoholates with Oxygen

Hollingsworth, Nathan, Johnson, Andrew L, Kingsley, Andrew, Kociok-Köhn, Gabriele, Molloy, Kieran C

Journal:

Organometallics

Year:

2010

Language:

english

File:

PDF, 1.21 MB

english, 2010

26

An Ireland−Claisen Approach to β-Alkoxy α-Amino Acids

Tellam, James P., Kociok-Köhn, Gabriele, Carbery, David R.

Journal:

Organic Letters

Year:

2008

Language:

english

File:

PDF, 130 KB

english, 2008

27

Two-Dimensional-Hexagonal Periodic Mesoporous Polymer Resin Thin Films by Soft Templating

Schuster, Jörg, Köhn, Ralf, Keilbach, Andreas, Döblinger, Markus, Amenitsch, Heinz, Bein, Thomas

Journal:

Chemistry of Materials

Year:

2009

Language:

english

File:

PDF, 3.17 MB

english, 2009

28

Förster Energy Transfer and Davydov Splittings in Time-Dependent Density Functional Theory: Lessons from 2-Pyridone Dimer

Sagvolden, Espen, Furche, Filipp, Köhn, Andreas

Journal:

Journal of Chemical Theory and Computation

Year:

2009

Language:

english

File:

PDF, 555 KB

english, 2009

29

Synthesis, Characterization, and Solution Lability of N-Heterocyclic Carbene Adducts of the Heavier Group 2 Bis(trimethylsilyl)amides

Barrett, Anthony G. M., Crimmin, Mark R., Hill, Michael S., Kociok-Köhn, Gabriele, MacDougall, Dugald J., Mahon, Mary F., Procopiou, Panayiotis A.

Journal:

Organometallics

Year:

2008

Language:

english

File:

PDF, 557 KB

english, 2008

30

Combined Experimental and Theoretical Study of the Vibronic Spectra of Perylenecarboximides

Diehl, Florian P., Roos, Claudia, Jankowiak, Hans-Christian, Berger, Robert, Köhn, Andreas, Diezemann, Gregor, Basché, Thomas

Journal:

Journal of Physical Chemistry B

Year:

2010

Language:

english

File:

PDF, 720 KB

english, 2010

31

Correction to Structural Study of the Reaction of Methylzinc Amino Alcoholates with Oxygen

Hollingsworth, Nathan, Johnson, Andrew L, Kingsley, Andrew, Kockiok-Köhn, Gabriele, Molloy, Kieran C

Journal:

Organometallics

Year:

2011

Language:

english

File:

PDF, 591 KB

english, 2011

32

Dearomatization and C−H Deprotonation with Heavier Group 2 Alkyls: Does Size Matter?

Arrowsmith, Merle, Hill, Michael S., Kociok-Köhn, Gabriele

Journal:

Organometallics

Year:

2010

Language:

english

File:

PDF, 2.10 MB

english, 2010

33

Organocadmium Hydrazide and Hydrazine Complexes

Johnson, Andrew L., Hollingsworth, Nathan, Kingsley, Andrew, Kociok-Köhn, Gabriele, Molloy, Kieran C.

Journal:

Organometallics

Year:

2009

Language:

english

File:

PDF, 117 KB

english, 2009

34

Vertical Columnar Block-Copolymer-Templated Mesoporous Silica via Confined Phase Transformation

Platschek, Barbara, Petkov, Nikolay, Himsl, Dieter, Zimdars, Silvia, Li, Zhuo, Köhn, Ralf, Bein, Thomas

Journal:

Journal of the American Chemical Society

Year:

2008

Language:

english

File:

PDF, 3.92 MB

english, 2008

35

Structure–Activity Analysis of Semisynthetic Nucleosomes: Mechanistic Insights into the Stimulation of Dot1L by Ubiquitylated Histone H2B

McGinty, Robert K., Köhn, Maja, Chatterjee, Champak, Chiang, Kyle P., Pratt, Matthew R., Muir, Tom W.

Journal:

ACS Chemical Biology

Year:

2009

Language:

english

File:

PDF, 2.16 MB

english, 2009

36

Cleavage of Sn−C and S−C alkyl Bonds on an Organotin Scaffold: Synthesis and Characterization of a Novel Organotin-Sulfite Cluster Bearing Methyltin- and Dimethyltin Fragments

Shankar, Ravi, Jain, Archana, Kociok-Köhn, Gabriele, Mahon, Mary F., Molloy, Kieran C.

Journal:

Inorganic Chemistry

Year:

2010

Language:

english

File:

PDF, 1.82 MB

english, 2010

37

Tris(imidazolin-2-ylidene-1-yl)borate Complexes of the Heavier Alkaline Earths: Synthesis and Structural Studies

Arrowsmith, Merle, Heath, Alex, Hill, Michael S., Hitchcock, Peter B., Kociok-Köhn, Gabriele

Journal:

Organometallics

Year:

2009

Language:

english

File:

PDF, 1.13 MB

english, 2009

38

N-Heterocyclic Carbenes and Charge Separation in Heterometallic s-Block Silylamides

Hill, Michael S., Kociok-Köhn, Gabriele, MacDougall, Dugald J.

Journal:

Inorganic Chemistry

Year:

2011

Language:

english

File:

PDF, 2.81 MB

english, 2011

39

Theoretical investigation of electronic excitation energy transfer in bichromophoric assemblies

Fückel, Burkhard, Köhn, Andreas, Harding, Michael E., Diezemann, Gregor, Hinze, Gerald, Basché, Thomas, Gauss, Jürgen

Journal:

The Journal of Chemical Physics

Year:

2008

Language:

english

File:

PDF, 891 KB

english, 2008

40

Transition moments and excited-state first-order properties in the coupled-cluster model CC2 using the resolution-of-the-identity approximation

Hättig, Christof, Köhn, Andreas

Journal:

The Journal of Chemical Physics

Year:

2002

Language:

english

File:

PDF, 390 KB

english, 2002

41

Towards the Hartree–Fock and coupled-cluster singles and doubles basis set limit: A study of various models that employ single excitations into a complementary auxiliary basis set

Köhn, Andreas, Tew, David P.

Journal:

The Journal of Chemical Physics

Year:

2010

Language:

english

File:

PDF, 379 KB

english, 2010

42

Photodissociation spectroscopy of Ag[sub 4][sup +](N[sub 2])[sub m], m=0–4

Schooss, Detlef, Gilb, Stefan, Kaller, Julian, Kappes, Manfred M., Furche, Filipp, Köhn, Andreas, May, Klaus, Ahlrichs, Reinhart

Journal:

The Journal of Chemical Physics

Year:

2000

Language:

english

File:

PDF, 586 KB

english, 2000

43

The trust-region self-consistent field method in Kohn–Sham density-functional theory

Tho̸gersen, Lea, Olsen, Jeppe, Köhn, Andreas, Jo̸rgensen, Poul, Sałek, Paweł, Helgaker, Trygve

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 486 KB

english, 2005

44

Frequency-dependent hyperpolarizabilities of the Ne, Ar, and Kr atoms using the approximate coupled cluster triples model CC3

Ho̸st, Stinne, Jo̸rgensen, Poul, Köhn, Andreas, Pawłowski, Filip, Klopper, Wim, Hättig, Christof

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 380 KB

english, 2005

45

Analytic gradients for excited states in the coupled-cluster model CC2 employing the resolution-of-the-identity approximation

Köhn, Andreas, Hättig, Christof

Journal:

The Journal of Chemical Physics

Year:

2003

Language:

english

File:

PDF, 414 KB

english, 2003

46

First-order properties for triplet excited states in the approximated coupled cluster model CC2 using an explicitly spin coupled basis

Hättig, Christof, Köhn, Andreas, Hald, Kasper

Journal:

The Journal of Chemical Physics

Year:

2002

Language:

english

File:

PDF, 339 KB

english, 2002

47

High-order correlation effects on dynamic hyperpolarizabilities and their geometric derivatives: A comparison with density functional results

Pecul, Magdalena, Pawłowski, Filip, Jo̸rgensen, Poul, Köhn, Andreas, Hättig, Christof

Journal:

The Journal of Chemical Physics

Year:

2006

Language:

english

File:

PDF, 396 KB

english, 2006

48

Coupled-cluster with active space selected higher amplitudes: Performance of seminatural orbitals for ground and excited state calculations

Köhn, Andreas, Olsen, Jeppe

Journal:

The Journal of Chemical Physics

Year:

2006

Language:

english

File:

PDF, 430 KB

english, 2006

49

An artificial neural net and error backpropagation to reconstruct single photon emission computerized tomography data

Knoll, Peter, Mirzaei, Siroos, Müllner, Angelika, Leitha, Thomas, Koriska, Karl, Köhn, Horst, Neumann, Martin

Journal:

Medical Physics

Year:

1999

Language:

english

File:

PDF, 427 KB

english, 1999

50

Efficient use of the correlation consistent basis sets in resolution of the identity MP2 calculations

Weigend, Florian, Köhn, Andreas, Hättig, Christof

Journal:

The Journal of Chemical Physics

Year:

2002

Language:

english

File:

PDF, 334 KB

english, 2002

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