Grimme, Stefan : rechercher sur Z-Library

Année:

2010

Langue:

english

Fichier:

PDF, 1.46 MB

english, 2010

Semiempirical GGA-type density functional constructed with a long-range dispersion correction

Stefan Grimme

Journal:

Liang*, Junzhong, Grimm, Bernhard, Goelz, Stefan, Bille, Josef F.

Année:

2006

Langue:

english

Fichier:

PDF, 223 KB

english, 2006

Objective measurement of wave aberrations of the human eye with the use of a Hartmann-Shack wave-front sensor

Journal:

Journal of the Optical Society of America A

Année:

1994

Langue:

english

Fichier:

PDF, 1019 KB

english, 1994

Court Sites of Arctic Norway: Remains of Thing Sites and Representations of Political Consolidation Processes in the Northern Germanic World during the First Millennium AD?

Brink, Stefan, Grimm, Oliver, Iversen, Frode, Hobæk, Halldis, Ødegaard, Marie, Näsman, Ulf, Sanmark, Alexandra, Urbanczyk, Przemyslaw, Vésteinsson, Orri, Storli, Inger

Journal:

Norwegian Archaeological Review

Année:

2011

Langue:

english

Fichier:

PDF, 245 KB

english, 2011

Mitarbeiterbefragungen und Mitwirkung des Betriebsrats

Grimm, Detlef, Freh, Stefan

Journal:

Kölner Schrift zum Wirtschaftsrecht

Année:

2012

Langue:

german

Fichier:

PDF, 163 KB

german, 2012

Effect of the damping function in dispersion corrected density functional theory

Stefan Grimme, Stephan Ehrlich, Lars Goerigk

Journal:

Goerigk, Lars, Grimme, Stefan

Année:

2011

Langue:

english

Fichier:

PDF, 384 KB

english, 2011

Double-hybrid density functionals

Journal:

Wiley Interdisciplinary Reviews: Computational Molecular Science

Année:

2014

Langue:

english

Fichier:

PDF, 608 KB

english, 2014

Extension of the D3 dispersion coefficient model

Caldeweyher, Eike, Bannwarth, Christoph, Grimme, Stefan

Journal:

Schmitz, Sarah, Seibert, Jakob, Ostermeir, Katja, Hansen, Andreas, GÃ¶ller, Andreas H., Grimme, Stefan

Année:

2017

Langue:

english

Fichier:

PDF, 3.43 MB

english, 2017

Quantum Chemical Calculation of Molecular and Periodic Peptide and Protein Structures

Journal:

Journal of Physical Chemistry B

Année:

2020

Fichier:

PDF, 38.92 MB

2020

Comprehensive Assessment of GFN Tight-Binding and Composite Density Functional Theory Methods for Calculating Gas-Phase Infrared Spectra

Pracht, Philipp, Grant, David F., Grimme, Stefan

Journal:

Ulrich Eckhardt, Bernhard Grimm, Stefan Hörtensteiner

Année:

2020

Fichier:

PDF, 5.36 MB

2020

Recent advances in chlorophyll biosynthesis and breakdown in higher plants

Journal:

Plant Molecular Biology

Année:

2004

Langue:

english

Fichier:

PDF, 144 KB

english, 2004

„Die dunkle Seite des Sponsoring“ – Unliebsame Effekte von Rivalität auf die Sponsorenmarke

Hans H. Bauer, Stefan Hattula, Alexander Grimm, Cornelia Ebertin

Journal:

Marketing Review St. Gallen

Année:

2012

Langue:

german

Fichier:

PDF, 442 KB

german, 2012

Phase-contrast X-ray microtomography links Cretaceous seeds with Gnetales and Bennettitales

Friis, Else Marie, Crane, Peter R., Pedersen, Kaj Raunsgaard, Bengtson, Stefan, Donoghue, Philip C. J., Grimm, Guido W., Stampanoni, Marco

Journal:

Nature

Année:

2007

Langue:

english

Fichier:

PDF, 549 KB

english, 2007

Density functional theory with London dispersion corrections

Stefan Grimme

Journal:

Wiley Interdisciplinary Reviews: Computational Molecular Science

Année:

2011

Langue:

english

Fichier:

PDF, 1.01 MB

english, 2011

Double-hybrid density functional theory for excited electronic states of molecules

Grimme, Stefan, Neese, Frank

Journal:

Sure, Rebecca, Grimme, Stefan

Année:

2007

Langue:

english

Fichier:

PDF, 657 KB

english, 2007

Corrected small basis set Hartree-Fock method for large systems

Journal:

Bauer, Christoph Alexander, Grimme, Stefan

Année:

2013

Langue:

english

Fichier:

PDF, 859 KB

english, 2013

How to Compute Electron Ionization Mass Spectra from First Principles

Journal:

Journal of Physical Chemistry A

Année:

2016

Langue:

english

Fichier:

PDF, 2.18 MB

english, 2016

Das Gesetz zur Förderung der Transparenz von Entgeltstrukturen

Grimm, Detlef, Freh, Stefan

Journal:

Kölner Schrift zum Wirtschaftsrecht

Langue:

german

Fichier:

PDF, 189 KB

german

Computational Chemistry: The fate of current methods and future challenges

Grimme, Stefan, Schreiner, Peter Richard

Journal:

Angewandte Chemie

Année:

2017

Langue:

english

Fichier:

PDF, 1.65 MB

english, 2017

Exhaustively Trichlorosilylated C 1 and C 2 Building Blocks: Beyond the Müller-Rochow Direct Process

Georg, Isabelle, Teichmann, Julian, Bursch, Markus, Tillmann, Jan, Endeward, Burkhard, Bolte, Michael, Lerner, Hans-Wolfram, Grimme, Stefan, Wagner, Matthias

Journal:

Journal of the American Chemical Society

Année:

2018

Langue:

english

Fichier:

PDF, 1.75 MB

english, 2018

Four-dimensional black hole entropy from F-theory

Grimm, Thomas W., het Lam, Huibert, Mayer, Kilian, Vandoren, Stefan

Journal:

Journal of High Energy Physics

Année:

2019

Langue:

english

Fichier:

PDF, 749 KB

english, 2019

Do Special Noncovalent π–π Stacking Interactions Really Exist?

Stefan Grimme

Journal:

Angewandte Chemie International Edition

Année:

2008

Langue:

english

Fichier:

PDF, 407 KB

english, 2008

Weak Hydrogen Bridges: A Systematic Theoretical Study on the Nature and Strength of CH⋅⋅⋅FC Interactions

Isabella Hyla-Kryspin, Günter Haufe, Stefan Grimme

Journal:

Chemistry - A European Journal

Année:

2004

Langue:

english

Fichier:

PDF, 242 KB

english, 2004

The Gas Phase Acidity of Oligofluorobenzenes and Oligochlorobenzenes: About the Additivity or Non-Additivity of Substituent Effects

Isabella Hyla-Kryspin, Stefan Grimme, Heinz H. Büker, Nico M. M. Nibbering, Fabrice Cottet, Manfred Schlosser

Journal:

Chemistry - A European Journal

Année:

2005

Langue:

english

Fichier:

PDF, 108 KB

english, 2005

DFT/MRCI calculations on the excited states of porphyrin, hydroporphyrins, tetrazaporphyrins and metalloporphyrins

Andreas B. J. Parusel, Stefan Grimme

Journal:

Journal of Porphyrins and Phthalocyanines

Année:

2001

Langue:

english

Fichier:

PDF, 113 KB

english, 2001

MP2 and QCISD(T) study on the convergence of interaction energies of weak O–H⋯F–C, C–H⋯O, and C–H⋯F–C hydrogen bridges

Isabella Hyla-Kryspin, Günter Haufe, Stefan Grimme

Journal:

Chemical Physics

Année:

2008

Langue:

english

Fichier:

PDF, 391 KB

english, 2008

Synthesis of optically active 2-fluoroalk-1-en-3-yl esters and chirality transfer in their Claisen-type rearrangements

Michael Marhold, Ulrich Wittmann, Stefan Grimme, Tamiko Takahashi, Günter Haufe

Journal:

Journal of Fluorine Chemistry

Année:

2007

Langue:

english

Fichier:

PDF, 621 KB

english, 2007

“Mindless” DFT Benchmarking

Korth, Martin, Grimme, Stefan

Journal:

Goerigk, Lars, Grimme, Stefan

Année:

2009

Langue:

english

Fichier:

PDF, 222 KB

english, 2009

A thorough benchmark of density functional methods for general main group thermochemistry, kinetics, and noncovalent interactions

Journal:

Physical Chemistry Chemical Physics

Année:

2011

Langue:

english

Fichier:

PDF, 2.44 MB

english, 2011

NHC Catalyzed Oxidations of Aldehydes to Esters: Chemoselective Acylation of Alcohols in Presence of Amines

Sarkar, Suman De, Grimme, Stefan, Studer, Armido

Journal:

Journal of the American Chemical Society

Année:

2010

Langue:

english

Fichier:

PDF, 339 KB

english, 2010

Mechanistic Studies on the Pd-catalyzed Direct CH Arylation of 2-Substituted Thiophene Derivatives with Arylpalladium Bipyridyl Complexes

Marc Steinmetz, Kirika Ueda, Prof. Dr. Stefan Grimme, Dr. Junichiro Yamaguchi, Dr. Sylvia Kirchberg, Prof. Dr. Kenichiro Itami, Prof. Dr. Armido Studer

Journal:

Chemistry – An Asian Journal

Année:

2012

Langue:

english

Fichier:

PDF, 450 KB

english, 2012

Supramolecular Binding Thermodynamics by Dispersion-Corrected Density Functional Theory

Prof. Dr. Stefan Grimme

Journal:

Chemistry - A European Journal

Année:

2012

Langue:

english

Fichier:

PDF, 678 KB

english, 2012

Fully ab initio protein-ligand interaction energies with dispersion corrected density functional theory

Jens Antony, Stefan Grimme

Journal:

Grimme, Stefan, Waletzke, Mirko

Année:

2012

Langue:

english

Fichier:

PDF, 505 KB

english, 2012

A combination of Kohn–Sham density functional theory and multi-reference configuration interaction methods

Journal:

Anthony Lemarie, Stefan Grimm

Année:

1999

Langue:

english

Fichier:

PDF, 645 KB

english, 1999

Mutations in the heme b-binding residue of SDHC inhibit assembly of respiratory chain complex II in mammalian cells

Journal:

Mitochondrion

Année:

2009

Langue:

english

Fichier:

PDF, 648 KB

english, 2009

Performance of the van der Waals Density Functional VV10 and (hybrid)GGA Variants for Thermochemistry and Noncovalent Interactions

Hujo, Waldemar, Grimme, Stefan

Journal:

Mahdi, Tayseer, Heiden, Zachariah M., Grimme, Stefan, Stephan, Douglas W.

Année:

2011

Langue:

english

Fichier:

PDF, 1.40 MB

english, 2011

Metal-Free Aromatic Hydrogenation: Aniline to Cyclohexyl-amine Derivatives

Journal:

Journal of the American Chemical Society

Année:

2012

Langue:

english

Fichier:

PDF, 705 KB

english, 2012

[Embedded Systems] Embedded Systems for Smart Appliances and Energy Management Volume 3 || Energy Measurement Techniques for Smart Metering

Grimm, Christoph, Neumann, Peter, Mahlknecht, Stefan

Année:

2013

Langue:

english

Fichier:

PDF, 1003 KB

english, 2013

Weak intermolecular interactions calculated with diffusion Monte Carlo

Diedrich, Christian, Lüchow, Arne, Grimme, Stefan

Journal:

Iali, Wissam, Petrović, Predrag, Pfeffer, Michel, Grimme, Stefan, Djukic, Jean-Pierre

Année:

2005

Langue:

english

Fichier:

PDF, 355 KB

english, 2005

The inhibition of iridium-promoted water oxidation catalysis (WOC) by cucurbit[n]urils

Journal:

Dalton Transactions

Année:

2012

Langue:

english

Fichier:

PDF, 1.83 MB

english, 2012

Towards First Principles Calculation of Electron Impact Mass Spectra of Molecules

Grimme, Stefan

Journal:

Angewandte Chemie International Edition

Année:

2013

Langue:

english

Fichier:

PDF, 629 KB

english, 2013

Effects of London dispersion correction in density functional theory on the structures of organic molecules in the gas phase

Grimme, Stefan, Steinmetz, Marc

Journal:

Physical Chemistry Chemical Physics

Année:

2013

Langue:

english

Fichier:

PDF, 522 KB

english, 2013

Graphene oxide: efficiency of reducing agents

Eigler, Siegfried, Grimm, Stefan, Enzelberger-Heim, Michael, Müller, Paul, Hirsch, Andreas

Journal:

Chemical Communications

Année:

2013

Langue:

english

Fichier:

PDF, 1.65 MB

english, 2013

Analytic derivatives for perturbatively corrected “double hybrid” density functionals: Theory, implementation, and applications

Neese, Frank, Schwabe, Tobias, Grimme, Stefan

Journal:

Müller-Hülsbeck, Stefan, Jahnke, Thomas, Liess, Carsten, Glass, Christoph, Grimm, Jan, Heller, Martin

Année:

2007

Langue:

english

Fichier:

PDF, 432 KB

english, 2007

Comparison of Various Cerebral Protection Devices Used for Carotid Artery Stent Placement: An In Vitro Experiment

Journal:

Journal of Vascular and Interventional Radiology

Année:

2003

Langue:

english

Fichier:

PDF, 831 KB

english, 2003

Accurate Modeling of Organic Molecular Crystals by Dispersion-Corrected Density Functional Tight Binding (DFTB)

Brandenburg, Jan Gerit, Grimme, Stefan

Journal:

The Journal of Physical Chemistry Letters

Année:

2014

Langue:

english

Fichier:

PDF, 712 KB

english, 2014

Dissecting mitochondrial apoptosis pathways by gain-of-function cell culture screens

Grimm, Stefan

Journal:

Mitochondrion

Année:

2013

Langue:

english

Fichier:

PDF, 419 KB

english, 2013

Trion Electroluminescence from Semiconducting Carbon Nanotubes

Jakubka, Florian, Grimm, Stefan B., Zakharko, Yuriy, Gannott, Florentina, Zaumseil, Jana

Journal:

ACS Nano

Année:

2014

Langue:

english

Fichier:

PDF, 3.70 MB

english, 2014

A General Quantum Mechanically Derived Force Field (QMDFF) for Molecules and Condensed Phase Simulations

Grimme, Stefan

Journal: