Reiher, Christopher A.: search on Z-Library

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1

Localizing normal modes in large molecules

Jacob, Christoph R., Reiher, Markus

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 637 KB

english, 2009

2

Stereocontrolled Synthesis of Kalihinol C

Reiher, Christopher A., Shenvi, Ryan A.

Journal:

Journal of the American Chemical Society

Year:

2017

Language:

english

File:

PDF, 950 KB

english, 2017

3

Cooperative Light-Activated Iodine and Photoredox Catalysis for the Amination of Csp3-H Bonds

Muniz, Kilian, Reiher, Markus, Stein, Christopher, Becker, Peter, Duhamel, Thomas

Journal:

Angewandte Chemie International Edition

Year:

2017

Language:

english

File:

PDF, 1.50 MB

english, 2017

4

Stereoinversion of tertiary alcohols to tertiary-alkyl isonitriles and amines

Pronin, Sergey V., Reiher, Christopher A., Shenvi, Ryan A.

Journal:

Year:

2013

Language:

english

File:

PDF, 582 KB

english, 2013

5

Analysis of electron density distributions from subsystem density functional theory applied to coordination bonds

Samuel Fux, Karin Kiewisch, Christoph R. Jacob, Johannes Neugebauer, Markus Reiher

Journal:

Chemical Physics Letters

Year:

2008

Language:

english

File:

PDF, 1.76 MB

english, 2008

6

Synthesis of Chiral Self-Assembling Rhombs and Their Characterization in Solution, in the Gas Phase, and at the Liquid−Solid Interface

Jeong, Kyung Seok, Kim, Sun Young, Shin, Ueon-Sang, Kogej, Michael, Hai, Nguyen T. M., Broekmann, Peter, Jeong, Nakcheol, Kirchner, Barbara, Reiher, Markus, Schalley, Christoph A.

Journal:

Journal of the American Chemical Society

Year:

2005

Language:

english

File:

PDF, 1.42 MB

english, 2005

7

Self-Parametrizing System-Focused Atomistic Models

Brunken, Christoph, Reiher, Markus

Journal:

Journal of Chemical Theory and Computation

Year:

2020

Language:

english

File:

PDF, 3.23 MB

english, 2020

8

Engineering Molecular Iodine Catalysis for Alkyl-Nitrogen Bond Formation

Duhamel, Thomas, Stein, Christopher Johannes, Martínez, Claudio, Reiher, Markus, Muniz, Kilian

Journal:

Year:

2018

Language:

english

File:

PDF, 785 KB

english, 2018

9

Corrigendum: Stereoinversion of tertiary alcohols to tertiary-alkyl isonitriles and amines

Pronin, Sergey V., Reiher, Christopher A., Shenvi, Ryan A.

Journal:

Year:

2013

File:

PDF, 26 KB

2013

10

MOVIPAC: Vibrational spectroscopy with a robust meta-program for massively parallel standard and inverse calculations

Thomas Weymuth, Moritz P. Haag, Karin Kiewisch, Sandra Luber, Stephan Schenk, Christoph R. Jacob, Carmen Herrmann, Johannes Neugebauer, Markus Reiher

Journal:

Journal of Computational Chemistry

Year:

2012

Language:

english

File:

PDF, 773 KB

english, 2012

11

Response to “Comment on ‘Accurate frozen-density embedding potentials as a first step towards a subsystem description of covalent bonds’” [J. Chem. Phys. 135, 027101 (2011)]

Fux, Samuel, Jacob, Christoph R., Neugebauer, Johannes, Visscher, Lucas, Reiher, Markus

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 180 KB

english, 2011

12

Identifying Protein β-Turns with Vibrational Raman Optical Activity

Thomas Weymuth, Dr. Christoph R. Jacob, Prof. Markus Reiher

Journal:

Year:

2011

Language:

english

File:

PDF, 664 KB

english, 2011

13

Measuring multi-configurational character by orbital entanglement

Stein, Christopher J., Reiher, Markus

Journal:

Molecular Physics

Year:

2017

Language:

english

File:

PDF, 970 KB

english, 2017

14

AIP Conference Proceedings [AIP XXII INTERNATIONAL CONFERENCE ON RAMAN SPECTROSCOPY - Boston (MA) (8–10 August 2010)] - Raman Optical Activity Study of the Signatures Associated to (TG)[sub N] and (GG)[sub N] Conformations of Isotactic Polypropylene Chains using Mode Localization Method

Liégeois, Vincent, Jacob, Christoph R., Champagne, Benoi^t, Reiher, Markus, Champion, P. M., Ziegler, L. D.

Year:

2010

Language:

english

File:

PDF, 633 KB

english, 2010

15

Analysis of the Cartesian Tensor Transfer Method for Calculating Vibrational Spectra of Polypeptides

Bieler, Noah S., Haag, Moritz P., Jacob, Christoph R., Reiher, Markus

Journal:

Journal of Chemical Theory and Computation

Year:

2011

Language:

english

File:

PDF, 2.78 MB

english, 2011

16

Regioselective Bromination of Fused Heterocyclic N -Oxides

Wengryniuk, Sarah E., Weickgenannt, Andreas, Reiher, Christopher, Strotman, Neil A., Chen, Ke, Eastgate, Martin D., Baran, Phil S.

Journal:

Organic Letters

Year:

2013

Language:

english

File:

PDF, 472 KB

english, 2013

17

Automated Selection of Active Orbital Spaces

Stein, Christopher J., Reiher, Markus

Journal:

Journal of Chemical Theory and Computation

Year:

2016

Language:

english

File:

PDF, 4.20 MB

english, 2016

18

Can DFT Accurately Predict Spin Densities? Analysis of Discrepancies in Iron Nitrosyl Complexes

Boguslawski, Katharina, Jacob, Christoph R., Reiher, Markus

Journal:

Journal of Chemical Theory and Computation

Year:

2011

Language:

english

File:

PDF, 5.29 MB

english, 2011

19

Optimized unrestricted Kohn–Sham potentials from ab initio spin densities

Boguslawski, Katharina, Jacob, Christoph R., Reiher, Markus

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 4.42 MB

english, 2013

20

A Local-Mode Model for Understanding the Dependence of the Extended Amide III Vibrations on Protein Secondary Structure

Weymuth, Thomas, Jacob, Christoph R., Reiher, Markus

Journal:

Journal of Physical Chemistry B

Year:

2010

Language:

english

File:

PDF, 4.47 MB

english, 2010

21

Cooperative Light-Activated Iodine and Photoredox Catalysis for the Amination of Csp3-H Bonds

Muniz, Kilian, Reiher, Markus, Stein, Christopher, Becker, Peter, Duhamel, Thomas

Journal:

Angewandte Chemie

Year:

2017

Language:

english

File:

PDF, 1.51 MB

english, 2017

22

Quantum Chemical Spin Densities for Radical Cations of Photosynthetic Pigment Models

Artiukhin, Denis G., Stein, Christopher J., Reiher, Markus, Neugebauer, Johannes

Journal:

Photochemistry and Photobiology

Year:

2017

Language:

english

File:

PDF, 2.48 MB

english, 2017

23

Redox Activity of Oxo-Bridged Iridium Dimers in an N,O-Donor Environment: Characterization of Remarkably Stable Ir(IV,V) Complexes

Sinha, Shashi Bhushan, Shopov, Dimitar Y., Sharninghausen, Liam S., Stein, Christopher J., Mercado, Brandon Q., Balcells, David, Pedersen, Thomas Bondo, Reiher, Markus, Brudvig, Gary W., Crabtree, Rob

Journal:

Journal of the American Chemical Society

Year:

2017

Language:

english

File:

PDF, 1.91 MB

english, 2017

24

Semiclassical Dispersion Corrections Efficiently Improve Multi-Configurational Theory with Short-Range Density-Functional Dynamic Correlation

Stein, Christopher Johannes, Reiher, Markus

Journal:

Journal of Physical Chemistry A

Year:

2020

Language:

english

File:

PDF, 480 KB

english, 2020

25

Vibrational Density Matrix Renormalization Group

Baiardi, Alberto, Stein, Christopher J., Barone, Vincenzo, Reiher, Markus

Journal:

Journal of Chemical Theory and Computation

Year:

2017

Language:

english

File:

PDF, 1.11 MB

english, 2017

26

Calculated Raman Optical Activity Signatures of Tryptophan Side Chains

Christoph R. Jacob, Sandra Luber, Markus Reiher

Journal:

Year:

2008

Language:

english

File:

PDF, 243 KB

english, 2008

27

Spin in density-functional theory

Christoph R. Jacob, Markus Reiher

Journal:

International Journal of Quantum Chemistry

Year:

2012

Language:

english

File:

PDF, 807 KB

english, 2012

28

MOVPE growth of high-quality Al0.1Ga0.9N on Si(111) substrates for UV-LEDs

Phannee Saengkaew, Armin Dadgar, Juergen Blaesing, Barbara Bastek, Frank Bertram, Fabian Reiher, Christoph Hums, Martin Noltemeyer, Thomas Hempel, Peter Veit, Juergen Christen, Alois Krost

Journal:

physica status solidi (c)

Year:

2009

Language:

english

File:

PDF, 245 KB

english, 2009

29

Understanding the Signatures of Secondary-Structure Elements in Proteins with Raman Optical Activity Spectroscopy

Christoph R. Jacob, Sandra Luber, Markus Reiher

Journal:

Chemistry - A European Journal

Year:

2009

Language:

english

File:

PDF, 952 KB

english, 2009

30

Preconceptional factors associated with very low birthweight delivery in East and West Berlin: a case control study

Ingrid Grimmer, Christoph Bührer, Joachim W Dudenhausen, Andrea Stroux, Horst Reiher, Horst Halle, Michael Obladen

Journal:

BMC Public Health

Year:

2002

Language:

english

File:

PDF, 273 KB

english, 2002

31

Bacteria on a peripheral blood smear as presenting sign of overwhelming post-splenectomy infection in a patient with secondary acute myeloid leukemia

Robier, Christoph, Schoberl, Michaela, Reiher, Hannes, Neubauer, Manfred

Journal:

Clinical Chemistry and Laboratory Medicine

Year:

2015

Language:

english

File:

PDF, 356 KB

english, 2015

32

Analysis of Secondary Structure Effects on the IR and Raman Spectra of Polypeptides in Terms of Localized Vibrations

Jacob, Christoph R., Luber, Sandra, Reiher, Markus

Journal:

Journal of Physical Chemistry B

Year:

2009

Language:

english

File:

PDF, 3.60 MB

english, 2009

33

Accurate frozen-density embedding potentials as a first step towards a subsystem description of covalent bonds

Fux, Samuel, Jacob, Christoph R., Neugebauer, Johannes, Visscher, Lucas, Reiher, Markus

Journal:

The Journal of Chemical Physics

Year:

2010

Language:

english

File:

PDF, 754 KB

english, 2010

34

ChemInform Abstract: Regioselective Bromination of Fused Heterocyclic N-Oxides.

Wengryniuk, Sarah E., Weickgenannt, Andreas, Reiher, Christopher, Strotman, Neil A., Chen, Ke, Eastgate, Martin D., Baran, Phil S.

Journal:

Year:

2013

File:

PDF, 40 KB

2013

35

Human platelet antigen antibody induction in uncomplicated pregnancy is associated with HLA sensitization

Reiher, Viktoria S.A., Hönger, Gideon, Infanti, Laura, Passweg, Jakob R., Hösli, Irene, Frey, Beat M., Gassner, Christoph, Meyer, Stefan, Buser, Andreas S., Holbro, Andreas, Schaub, Stefan

Journal:

Transfusion (Elsevier)

Year:

2017

Language:

english

File:

PDF, 295 KB

english, 2017

36

The Delicate Balance of Static and Dynamic Electron Correlation

Stein, Christopher Johannes, von Burg, Vera, Reiher, Markus

Journal:

Journal of Chemical Theory and Computation

Year:

2016

Language:

english

File:

PDF, 1.27 MB

english, 2016

37

Analysis of Vibrational Raman Optical Activity Signatures of the (TG) N and (GG) N Conformations of Isotactic Polypropylene Chains in Terms of Localized Modes

Liégeois, Vincent, Jacob, Christoph R., Champagne, Benoît, Reiher, Markus

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 3.60 MB

english, 2010

38

New Approaches for ab initio Calculations of Molecules with Strong Electron Correlation

Knecht, Stefan, Hedegård, Erik Donovan, Keller, Sebastian, Kovyrshin, Arseny, Ma, Yingjin, Muolo, Andrea, Stein, Christopher J., Reiher, Markus

Journal:

CHIMIA International Journal for Chemistry

Year:

2016

Language:

english

File:

PDF, 367 KB

english, 2016

39

Optimization of highly excited matrix product states with an application to vibrational spectroscopy

Baiardi, Alberto, Stein, Christopher J., Barone, Vincenzo, Reiher, Markus

Journal:

The Journal of Chemical Physics

Year:

2019

Language:

english

File:

PDF, 1.12 MB

english, 2019

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