Neese, Martin : rechercher sur Z-Library

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1

Synthetic and Computational Evaluation of Regiodivergent Epoxide Opening for Diol and Polyol Synthesis

Gansäuer, Andreas, Karbaum, Peter, Schmauch, David, Einig, Martin, Shi, Lili, Anoop, Anakuthil, Neese, Frank

Journal:

Chemistry – An Asian Journal

Année:

2014

Langue:

english

Fichier:

PDF, 833 KB

english, 2014

2

Characterization of Oxygen Bridged Manganese Model Complexes using Multifrequency 17 O-hyperfine EPR Spectroscopies and Density Functional Theory

Rapatskiy, Leonid, Ames, William, Perez Navarro, Monsterrat, Savitsky, Anton, Griese, Julia J., Weyhermuller, Thomas, Shafaat, Hannah S., Högbom, Martin, Neese, Frank, Pantazis, Dimitrios A., Cox, Nic

Journal:

Journal of Physical Chemistry B

Année:

2015

Langue:

english

Fichier:

PDF, 4.30 MB

english, 2015

3

Effectiveness of Intensive Short-Term Residential Treatment with Severely Disturbed Adolescents

Martin Leichtman, Maria Luisa Leichtman, Carol Cornsweet Barber, D. Todd Neese

Journal:

American Journal of Orthopsychiatry

Année:

2001

Langue:

english

Fichier:

PDF, 851 KB

english, 2001

4

Electronic Structure Analysis of the Oxygen-Activation Mechanism by FeII- and α-Ketoglutarate (αKG)-Dependent Dioxygenases

Dr. Shengfa Ye, Christoph Riplinger, Andreas Hansen, Prof. Dr. Carsten Krebs, Prof. Dr. J. Martin Bollinger Jr., Prof. Dr. Frank Neese

Journal:

Chemistry - A European Journal

Année:

2012

Langue:

english

Fichier:

PDF, 1.07 MB

english, 2012

5

Intra-operative Navigation of a 3Dimensional Needle Localization System for Precision of Irreversible Electroporation Needles in Locally Advanced Pancreatic Cancer

Agle, S., Philips, P., VanMeter, T., Schultz, B., Scherer, M., Ramsey, C., Dumpuri, P., Neese, B., Martin, R.

Journal:

Journal of Surgical Research

Année:

2014

Langue:

english

Fichier:

PDF, 671 KB

english, 2014

6

Cryoreduction of the NO-Adduct of Taurine:α-Ketoglutarate Dioxygenase (TauD) Yields an Elusive {FeNO} 8 Species

Ye, Shengfa, Price, John C., Barr, Eric W., Green, Michael T., Bollinger, J. Martin, Krebs, Carsten, Neese, Frank

Journal:

Journal of the American Chemical Society

Année:

2010

Langue:

english

Fichier:

PDF, 540 KB

english, 2010

7

Highly Ordered Size-Dispersive Packings of Polydisperse Microgel Spheres

Antonietti, Markus, Hartmann, Jürgen, Neese, Martin, Seifert, Udo

Journal:

Année:

2000

Langue:

english

Fichier:

PDF, 431 KB

english, 2000

8

Spectroscopic and Computational Evaluation of the Structure of the High-Spin Fe(IV)-Oxo Intermediates in Taurine: α-Ketoglutarate Dioxygenase from Escherichia coli and Its His99Ala Ligand Variant

Sinnecker, Sebastian, Svensen, Nina, Barr, Eric W., Ye, Shengfa, Bollinger,, J. Martin, Neese, Frank, Krebs, Carsten

Journal:

Journal of the American Chemical Society

Année:

2007

Langue:

english

Fichier:

PDF, 377 KB

english, 2007

9

Dielectric and Mechanic Relaxation in Polyelectrolyte-Supported Bilayer Stacks: A Model for the Dynamics of Membranes?

Antonietti, Markus, Neese, Martin, Blum, Gernot, Kremer, Friedrich

Journal:

Année:

1996

Langue:

english

Fichier:

PDF, 218 KB

english, 1996

10

Hydroquinoid Chromium Complexes Bearing an Acyclic Conjugated Bridge: Chromium-Templated Synthesis, Molecular Structure, and Haptotropic Metal Migration

Hegele, Peter, Santhamma, Bindu, Schnakenburg, Gregor, Fröhlich, Roland, Kataeva, Olga, Nieger, Martin, Kotsis, Konstantinos, Neese, Frank, Dötz, Karl Heinz

Journal:

Organometallics

Année:

2010

Langue:

english

Fichier:

PDF, 3.11 MB

english, 2010

11

Back Cover: Synthetic and Computational Evaluation of Regiodivergent Epoxide Opening for Diol and Polyol Synthesis (Chem. Asian J. 8/2014)

Gansäuer, Andreas, Karbaum, Peter, Schmauch, David, Einig, Martin, Shi, Lili, Anoop, Anakuthil, Neese, Frank

Journal:

Chemistry – An Asian Journal

Année:

2014

Langue:

english

Fichier:

PDF, 1.03 MB

english, 2014

12

Exploring the Accuracy Limits of Local Pair Natural Orbital Coupled-Cluster Theory

Liakos, Dimitrios G., Sparta, Manuel, Kesharwani, Manoj K., Martin, Jan M. L., Neese, Frank

Journal:

Journal of Chemical Theory and Computation

Année:

2015

Langue:

english

Fichier:

PDF, 3.60 MB

english, 2015

13

Hydrodynamic Thrombectomy System versus Pulse-Spray Thrombolysis for Thrombosed Hemodialysis Grafts: A Multicenter Prospective Randomized Comparison1

Barth, Klemens H., Gosnell, Mark R., Palestrant, Aubrey M., Martin, Louis G., Siegel, Jeffrey B., Matalon, Terence A. S., Goodwin, Scott C., Neese, Paul A., Swan, Timothy L., Uflacker, Renan

Journal:

Année:

2000

Langue:

english

Fichier:

PDF, 232 KB

english, 2000

14

Spectroscopic evidence for the two C-H-cleaving intermediates of Aspergillus nidulans isopenicillin N synthase

Tamanaha, Esta Y., Zhang, Bo, Guo, Yisong, Chang, Wei-chen, Barr, Eric W., Xing, Gang, St.Clair, Jennifer, Ye, Shengfa, Neese, Frank, Bollinger, Jr., J. Martin, Krebs, Carsten

Journal:

Journal of the American Chemical Society

Année:

2016

Langue:

english

Fichier:

PDF, 1.64 MB

english, 2016

15

Binding free energies in the SAMPL5 octa-acid host–guest challenge calculated with DFT-D3 and CCSD(T)

Caldararu, Octav, Olsson, Martin A., Riplinger, Christoph, Neese, Frank, Ryde, Ulf

Journal:

Journal of Computer-Aided Molecular Design

Année:

2017

Langue:

english

Fichier:

PDF, 2.06 MB

english, 2017

16

Comparison of fully internally and strongly contracted multireference configuration interaction procedures

Sivalingam, Kantharuban, Krupicka, Martin, Auer, Alexander A., Neese, Frank

Journal:

The Journal of Chemical Physics

Année:

2016

Langue:

english

Fichier:

PDF, 1.10 MB

english, 2016

17

Non-Noble Metal Catalysis – NoNoMeCat

Gebbink, Bert Klein, Costas, Miquel, Hu, Xile, Junge, Henrik, Albrecht, Martin, Harvey, Jeremy, Neese, Frank, Schollhammer, Philippe

Journal:

Année:

2016

Langue:

english

Fichier:

PDF, 136 KB

english, 2016

18

Generation, spectroscopic and chemical characterization of an octahedral iron (V) – nitrido species with a neutral ligand platform

Sabenya, Gerard, Lazaro, Laura, Gamba, Ilaria, Martin-Diaconescu, Vlad, Andris, Erik, Weyhermüller, Thomas, Neese, Frank, Roithova, Jana, Bill, Eckhard, Lloret-Fillol, Julio, Costas, Miquel

Journal:

Journal of the American Chemical Society

Année:

2017

Langue:

english

Fichier:

PDF, 1.79 MB

english, 2017

19

A toolchain for the automatic generation of computer codes for correlated wavefunction calculations

Krupička, Martin, Sivalingam, Kantharuban, Huntington, Lee, Auer, Alexander A., Neese, Frank

Journal:

Journal of Computational Chemistry

Année:

2017

Langue:

english

Fichier:

PDF, 1.45 MB

english, 2017

20

An efficient pair natural orbital based configuration interaction scheme for the calculation of open-shell ionization potentials

Sen, Avijit, de Souza, Bernardo, Huntington, Lee M. J., Krupička, Martin, Neese, Frank, Izsák, Róbert

Journal:

The Journal of Chemical Physics

Année:

2018

Langue:

english

Fichier:

PDF, 1.22 MB

english, 2018

21

A Series of Iron Nitrosyl Complexes {Fe-NO}6-9 and a Fleeting {Fe-NO}10 Intermediate en route to a Metalacyclic Iron Nitrosoalkane

Keilwerth, Martin, Hohenberger, Johannes, Heinemann, Frank W., Sutter, Joerg, Scheurer, Andreas, Fang, Huayi, Bill, Eckhard, Neese, Frank, Ye, Shengfa, Meyer, Karsten

Journal:

Journal of the American Chemical Society

Année:

2019

Langue:

english

Fichier:

PDF, 2.83 MB

english, 2019

22

Formyltetrahydrofolate decarbonylase synthesizes the active site CO ligand of O 2 -tolerant [NiFe] hydrogenase

Schulz, Anne-Christine, Frielingsdorf, Stefan, Pommerening, Phillip, Lauterbach, Lars, Bistoni, Giovanni, Neese, Frank, Oestreich, Martin, Lenz, Oliver

Journal:

Journal of the American Chemical Society

Année:

2019

Fichier:

PDF, 692 KB

2019