Stefan Grimme *: search on Z-Library

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1

Theoretical Description of Substituent Effects in Electrophilic Aromatic Substitution Reactions

Tobias Schwabe, Stefan Grimme

Journal:

European Journal of Organic Chemistry

Year:

2008

Language:

english

File:

PDF, 210 KB

english, 2008

2

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

Grimme, Stefan, Antony, Jens, Ehrlich, Stephan, Krieg, Helge

Journal:

The Journal of Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.46 MB

english, 2010

3

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

Journal:

Journal of Computational Chemistry

Year:

2006

Language:

english

File:

PDF, 223 KB

english, 2006

4

Corrected small basis set Hartree-Fock method for large systems

Sure, Rebecca, Grimme, Stefan

Journal:

Journal of Computational Chemistry

Year:

2013

Language:

english

File:

PDF, 859 KB

english, 2013

5

Mitarbeiterbefragungen und Mitwirkung des Betriebsrats

Grimm, Detlef, Freh, Stefan

Journal:

Kölner Schrift zum Wirtschaftsrecht

Year:

2012

Language:

german

File:

PDF, 163 KB

german, 2012

6

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

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

Journal:

Journal of the Optical Society of America A

Year:

1994

Language:

english

File:

PDF, 1019 KB

english, 1994

7

Double-hybrid density functionals

Goerigk, Lars, Grimme, Stefan

Journal:

Wiley Interdisciplinary Reviews: Computational Molecular Science

Year:

2014

Language:

english

File:

PDF, 608 KB

english, 2014

8

Extension of the D3 dispersion coefficient model

Caldeweyher, Eike, Bannwarth, Christoph, Grimme, Stefan

Journal:

The Journal of Chemical Physics

Year:

2017

Language:

english

File:

PDF, 3.43 MB

english, 2017

9

Effect of the damping function in dispersion corrected density functional theory

Stefan Grimme, Stephan Ehrlich, Lars Goerigk

Journal:

Journal of Computational Chemistry

Year:

2011

Language:

english

File:

PDF, 384 KB

english, 2011

10

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

Year:

2011

Language:

english

File:

PDF, 245 KB

english, 2011

11

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

Journal:

Journal of Chemical Theory and Computation

Year:

2014

Language:

english

File:

PDF, 10.40 MB

english, 2014

12

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:

Journal of Chemical Theory and Computation

Year:

2020

File:

PDF, 5.36 MB

2020

13

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:

Year:

2007

Language:

english

File:

PDF, 549 KB

english, 2007

14

Quantum Chemical Calculation of Molecular and Periodic Peptide and Protein Structures

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

Journal:

Journal of Physical Chemistry B

Year:

2020

File:

PDF, 38.92 MB

2020

15

Trion Electroluminescence from Semiconducting Carbon Nanotubes

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

Journal:

Year:

2014

Language:

english

File:

PDF, 3.70 MB

english, 2014

16

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

Year:

2018

Language:

english

File:

PDF, 1.75 MB

english, 2018

17

Fully autonomous micro air vehicle flight and landing on a moving target using visual-inertial estimation and model-predictive control

Tzoumanikas, Dimos, Li, Wenbin, Grimm, Marius, Zhang, Ketao, Kovac, Mirko, Leutenegger, Stefan

Journal:

Journal of Field Robotics

Year:

2018

Language:

english

File:

PDF, 3.16 MB

english, 2018

18

A Practicable Real-Space Measure and Visualization of Static Electron-Correlation Effects

Grimme, Stefan, Hansen, Andreas

Journal:

Angewandte Chemie International Edition

Year:

2015

Language:

english

File:

PDF, 1.61 MB

english, 2015

19

„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

Year:

2012

Language:

german

File:

PDF, 442 KB

german, 2012

20

Recent advances in chlorophyll biosynthesis and breakdown in higher plants

Ulrich Eckhardt, Bernhard Grimm, Stefan Hörtensteiner

Journal:

Plant Molecular Biology

Year:

2004

Language:

english

File:

PDF, 144 KB

english, 2004

21

Das Gesetz zur Förderung der Transparenz von Entgeltstrukturen

Grimm, Detlef, Freh, Stefan

Journal:

Kölner Schrift zum Wirtschaftsrecht

Language:

german

File:

PDF, 189 KB

german

22

Prediction of the optimal dosing regimen using a mathematical model of tumour uptake for immunocytokine-based cancer immunotherapy

Ribba, Benjamin, Boetsch, Christophe, Nayak, Tapan K, Grimm, Hans Peter, Charo, Jehad M, Evers, Stefan, Klein, Christian, Tessier, Jean J. L., Charoin, Jean Eric, Phipps, Alex, Pisa, Pavel, Teichgräbe

Journal:

Clinical Cancer Research

Year:

2018

Language:

english

File:

PDF, 2.48 MB

english, 2018

23

How to Compute Electron Ionization Mass Spectra from First Principles

Bauer, Christoph Alexander, Grimme, Stefan

Journal:

Journal of Physical Chemistry A

Year:

2016

Language:

english

File:

PDF, 2.18 MB

english, 2016

24

Density functional theory with London dispersion corrections

Journal:

Wiley Interdisciplinary Reviews: Computational Molecular Science

Year:

2011

Language:

english

File:

PDF, 1.01 MB

english, 2011

25

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

Grimme, Stefan, Neese, Frank

Journal:

The Journal of Chemical Physics

Year:

2007

Language:

english

File:

PDF, 657 KB

english, 2007

26

Consistent structures and interactions by density functional theory with small atomic orbital basis sets

Grimme, Stefan, Brandenburg, Jan Gerit, Bannwarth, Christoph, Hansen, Andreas

Journal:

The Journal of Chemical Physics

Year:

2015

Language:

english

File:

PDF, 1.99 MB

english, 2015

27

Four-dimensional black hole entropy from F-theory

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

Journal:

Journal of High Energy Physics

Year:

2019

Language:

english

File:

PDF, 749 KB

english, 2019

28

Computational Chemistry: The fate of current methods and future challenges

Grimme, Stefan, Schreiner, Peter Richard

Journal:

Angewandte Chemie

Year:

2017

Language:

english

File:

PDF, 1.65 MB

english, 2017

29

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

Goerigk, Lars, Grimme, Stefan

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.44 MB

english, 2011

30

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

Year:

2010

Language:

english

File:

PDF, 339 KB

english, 2010

31

Weak intermolecular interactions calculated with diffusion Monte Carlo

Diedrich, Christian, Lüchow, Arne, Grimme, Stefan

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 355 KB

english, 2005

32

n -Alkane Isodesmic Reaction Energy Errors in Density Functional Theory Are Due to Electron Correlation Effects

Journal:

Organic Letters

Year:

2010

Language:

english

File:

PDF, 457 KB

english, 2010

33

Reactive force fields made simple

Hartke, Bernd, Grimme, Stefan

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 818 KB

english, 2015

34

The complete mitochondrial genome of Lacerta bilineata and comparison with its closely related congener L. Viridis

Kolora, Sree Rohit, Faria, Rui, Weigert, Anne, Schaffer, Stefan, Grimm, Annegret, Henle, Klaus, Sahyoun, Abdullah H., Stadler, Peter F., Nowick, Katja, Bleidorn, Christoph, Schlegel, Martin

Journal:

Mitochondrial DNA

Year:

2015

Language:

english

File:

PDF, 458 KB

english, 2015

35

Quantum Chemical Calculation of Electron Ionization Mass Spectra for General Organic and Inorganic Molecules

Ásgeirsson, Vilhjálmur, Bauer, Christoph Alexander, Grimme, Stefan

Journal:

Chemical Science

Year:

2017

Language:

english

File:

PDF, 9.30 MB

english, 2017

36

Powerhouse down: Complex II dissociation in the respiratory chain

Hwang, Ming-Shih, Rohlena, Jakub, Dong, Lan-Feng, Neuzil, Jiri, Grimm, Stefan

Journal:

Year:

2014

Language:

english

File:

PDF, 1.30 MB

english, 2014

37

Filtered Back Projection, Adaptive Statistical Iterative Reconstruction, and a Model-based Iterative Reconstruction in Abdominal CT: An Experimental Clinical Study

Deák, Zsuzsanna, Grimm, Jochen M., Treitl, Marcus, Geyer, Lucas L., Linsenmaier, Ulrich, Körner, Markus, Reiser, Maximilian F., Wirth, Stefan

Journal:

Year:

2013

Language:

english

File:

PDF, 746 KB

english, 2013

38

ChemInform Abstract: Small Atomic Orbital Basis Set First-Principles Quantum Chemical Methods for Large Molecular and Periodic Systems: A Critical Analysis of Error Sources

Sure, Rebecca, Brandenburg, Jan Gerit, Grimme, Stefan

Journal:

Year:

2016

File:

PDF, 16 KB

2016

39

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

Year:

2007

Language:

english

File:

PDF, 621 KB

english, 2007

40

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

Grimm, Christoph, Neumann, Peter, Mahlknecht, Stefan

Year:

2013

Language:

english

File:

PDF, 1003 KB

english, 2013

41

Resonant five-body recombination in an ultracold gas of bosonic atoms

Zenesini, Alessandro, Huang, Bo, Berninger, Martin, Besler, Stefan, Nägerl, Hanns-Christoph, Ferlaino, Francesca, Grimm, Rudolf, Greene, Chris H, Stecher, Javier von

Journal:

New Journal of Physics

Year:

2013

Language:

english

File:

PDF, 503 KB

english, 2013

42

Co–C Bond Dissociation Energies in Cobalamin Derivatives and Dispersion Effects: Anomaly or Just Challenging?

Qu, Zheng-wang, Hansen, Andreas, Grimme, Stefan

Journal:

Journal of Chemical Theory and Computation

Year:

2015

Language:

english

File:

PDF, 1.07 MB

english, 2015

43

Bioinspired design of a landing system with soft shock absorbers for autonomous aerial robots

Zhang, Ketao, Chermprayong, Pisak, Tzoumanikas, Dimos, Li, Wenbin, Grimm, Marius, Smentoch, Mariusz, Leutenegger, Stefan, Kovac, Mirko

Journal:

Journal of Field Robotics

Year:

2018

Language:

english

File:

PDF, 1.91 MB

english, 2018

44

Robust atomistic modeling of materials, organometallic and biochemical systems

Spicher, Sebastian, Grimme, Stefan

Journal:

Angewandte Chemie International Edition

Year:

2020

File:

PDF, 24.94 MB

2020

45

Density functional calculations with configuration interaction for the excited states of molecules

Journal:

Chemical Physics Letters

Year:

1996

Language:

english

File:

PDF, 710 KB

english, 1996

46

High-Quality Reduced Graphene Oxide by CVD-Assisted Annealing

Grimm, Stefan, Schweiger, Manuel, Eigler, Siegfried, Zaumseil, Jana

Journal:

The Journal of Physical Chemistry C

Year:

2016

Language:

english

File:

PDF, 3.02 MB

english, 2016

47

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

Year:

2012

Language:

english

File:

PDF, 450 KB

english, 2012

48

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

Grimme, Stefan, Waletzke, Mirko

Journal:

The Journal of Chemical Physics

Year:

1999

Language:

english

File:

PDF, 645 KB

english, 1999

49

Ultra-fast computation of electronic spectra for large systems by tight-binding based simplified Tamm-Dancoff approximation (sTDA-xTB)

Grimme, Stefan, Bannwarth, Christoph

Journal:

The Journal of Chemical Physics

Year:

2016

Language:

english

File:

PDF, 2.55 MB

english, 2016

50

Finding the best density functional approximation to describe interaction energies and structures of ionic liquids in molecular dynamics studies

Perlt, Eva, Ray, Promit, Hansen, Andreas, Malberg, Friedrich, Grimme, Stefan, Kirchner, Barbara

Journal:

The Journal of Chemical Physics

Year:

2018

Language:

english

File:

PDF, 7.12 MB

english, 2018

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