Steinmann, Stephan N.: search on Z-Library

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1

Quantification of “fuzzy” chemical concepts: a computational perspective

Gonthier, Jérôme F., Steinmann, Stephan N., Wodrich, Matthew D., Corminboeuf, Clémence

Journal:

Chemical Society Reviews

Year:

2012

Language:

english

File:

PDF, 4.00 MB

english, 2012

2

Atomistic modeling of electrocatalysis: Are we there yet?

Abidi, Nawras, Lim, Kang Rui Garrick, Seh, Zhi Wei, Steinmann, Stephan N.

Journal:

Wiley Interdisciplinary Reviews: Computational Molecular Science

Year:

2020

File:

PDF, 5.07 MB

2020

3

Key Role of Anionic Doping for H 2 Production from Formic Acid on Pd(111)

Wang, Pei, Steinmann, Stephan N., Fu, Gang, Michel, Carine, Sautet, Philippe

Journal:

Year:

2017

Language:

english

File:

PDF, 461 KB

english, 2017

4

Correction: Theory-guided materials design: two-dimensional MXenes in electro- and photocatalysis

Handoko, Albertus D., Steinmann, Stephan N., Wei, Fengxia, Seh, Zhi Wei

Journal:

Nanoscale Horizons

Year:

2019

Language:

english

File:

PDF, 1.27 MB

english, 2019

5

Enrichment of redox-sensitive trace metals (U, V, Mo, As) associated with the late Hauterivian Faraoni oceanic anoxic event

Stéphane Bodin, Alexis Godet, Virginie Matera, Philipp Steinmann, Jean Vermeulen, Silvia Gardin, Thierry Adatte, Rodolfo Coccioni, Karl B. Föllmi

Journal:

International Journal of Earth Sciences

Year:

2007

Language:

english

File:

PDF, 4.31 MB

english, 2007

6

A generalized-gradient approximation exchange hole model for dispersion coefficients

Steinmann, Stephan N., Corminboeuf, Clemence

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 494 KB

english, 2011

7

Parameter-free coordination numbers for solutions and interfaces

Staub, Ruben, Steinmann, Stephan N.

Journal:

The Journal of Chemical Physics

Year:

2020

Language:

english

File:

PDF, 8.76 MB

english, 2020

8

Evaluating the Risk of C-C Bond Formation during Selective Hydrogenation of Acetylene on Palladium

Vignola, Emanuele, Steinmann, Stephan N., Al Farra, Ahmad, Vandegehuchte, Bart, Curulla, Daniel, Sautet, Philippe

Journal:

Year:

2018

Language:

english

File:

PDF, 4.24 MB

english, 2018

9

Assessing a First Principles Model of an Electrochemical Interface by Comparison with Experiment

Steinmann, Stephan N., Sautet, Philippe

Journal:

The Journal of Physical Chemistry C

Year:

2016

Language:

english

File:

PDF, 1003 KB

english, 2016

10

Why are the Interaction Energies of Charge-Transfer Complexes Challenging for DFT?

Steinmann, Stephan N., Piemontesi, Cyril, Delachat, Aurore, Corminboeuf, Clemence

Journal:

Journal of Chemical Theory and Computation

Year:

2012

Language:

english

File:

PDF, 3.25 MB

english, 2012

11

How important is self-consistency for the dDsC density dependent dispersion correction?

Brémond, Éric, Golubev, Nikolay, Steinmann, Stephan N., Corminboeuf, Clémence

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.42 MB

english, 2014

12

Neonatal Hemolytic Uremic Syndrome After Mother-to-Child Transmission of a Low-Pathogenic stx2b Harboring Shiga Toxin-Producing Escherichia coli

Stritt, A., Tschumi, S., Kottanattu, L., Bucher, B. S., Steinmann, M., von Steiger, N., Stephan, R., Hachler, H., Simonetti, G. D.

Journal:

Clinical Infectious Diseases

Year:

2013

Language:

english

File:

PDF, 79 KB

english, 2013

13

Comparison of Phenotypic Tests and an Immunochromatographic Assay and Development of a New Algorithm for Detection of OXA-48-like Carbapenemases

Koroska, Florian, Göttig, Stephan, Kaase, Martin, Steinmann, Jörg, Gatermann, Sören, Sommer, Julian, Wille, Thorsten, Plum, Georg, Hamprecht, Axel, Munson, Erik

Journal:

Journal of Clinical Microbiology

Year:

2017

Language:

english

File:

PDF, 467 KB

english, 2017

14

Tetrazine-Based Ligand Transformation Driving Metal–Metal Bond and Mixed-Valence Hg I /Hg II

Lemes, Maykon A., Stein, Hilarie N., Gabidullin, Bulat, Steinmann, Stephan N., Murugesu, Muralee

Journal:

Year:

2018

Language:

english

File:

PDF, 1.23 MB

english, 2018

15

Hydroxide-Induced Degradation of Olefin Metathesis Catalysts: A Challenge for Metathesis in Alkaline Media

Goudreault, Alexandre Yvon, Walden, Daniel M., Nascimento, Daniel L., Botti, Adrian G, Steinmann, Stephan N., Michel, Carine, Fogg, Deryn E.

Journal:

Year:

2020

File:

PDF, 252 KB

2020

16

Behavioural Treatment Increases Activity in the Cognitive Neuronal Networks in Children with Attention Deficit/Hyperactivity Disorder

Siniatchkin, Michael, Glatthaar, Nora, Müller, Gabriele Gerber, Prehn-Kristensen, Alexander, Wolff, Stephan, Knöchel, Silja, Steinmann, Elisabeth, Sotnikova, Anna, Stephani, Ulrich, Petermann, Franz,

Journal:

Brain Topography

Year:

2012

Language:

english

File:

PDF, 727 KB

english, 2012

17

Hierarchically Structured Microfibers of “Single Stack” Perylene Bisimide and Quaterthiophene Nanowires

Marty, Roman, Szilluweit, Ruth, Sánchez-Ferrer, Antoni, Bolisetty, Sreenath, Adamcik, Jozef, Mezzenga, Raffaele, Spitzner, Eike-Christian, Feifer, Martin, Steinmann, Stephan N., Corminboeuf, Clémence,

Journal:

Year:

2013

Language:

english

File:

PDF, 2.46 MB

english, 2013

18

How Strained are Carbomeric-Cycloalkanes?

Wodrich, Matthew D., Gonthier, Jérôme F., Steinmann, Stephan N., Corminboeuf, Clémence

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 1.79 MB

english, 2010

19

Dynamical second-order Bethe-Salpeter equation kernel: A method for electronic excitation beyond the adiabatic approximation

Zhang, Du, Steinmann, Stephan N., Yang, Weitao

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 729 KB

english, 2013

20

Theoretical insight into the origin of the electrochemical promotion of ethylene oxidation on ruthenium oxide

Hajar, Yasmine M., Treps, Laureline, Michel, Carine, Baranova, Elena A., Steinmann, Stephan N.

Journal:

Catalysis Science & Technology

Year:

2019

File:

PDF, 4.99 MB

2019

21

Benchmark tests and spin adaptation for the particle-particle random phase approximation

Yang, Yang, van Aggelen, Helen, Steinmann, Stephan N., Peng, Degao, Yang, Weitao

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 869 KB

english, 2013

22

Solvation Free Energies and Adsorption Energies at the Metal/Water Interface from Hybrid Quantum-Mechanical/Molecular Mechanics Simulations

Clabaut, Paul, Schweitzer, Benjamin, GÃ¶tz, Andreas W., Michel, Carine, Steinmann, Stephan N.

Journal:

Journal of Chemical Theory and Computation

Year:

2020

File:

PDF, 2.56 MB

2020

23

Impacts of electrode potentials and solvents on the electroreduction of CO 2 : a comparison of theoretical approaches

Steinmann, Stephan N., Michel, Carine, Schwiedernoch, Renate, Sautet, Philippe

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 2.62 MB

english, 2015

24

Energy Decomposition Analysis for Metal Surface -- Adsorbate Interactions by Block Localized Wave Functions

Staub, Ruben, Iannuzzi, Marcella, Khaliullin, Rustam Z., Steinmann, Stephan N.

Journal:

Journal of Chemical Theory and Computation

Year:

2018

Language:

english

File:

PDF, 1.54 MB

english, 2018

25

Evaluating Thermal Corrections for Adsorption Processes at the Metal/Gas Interface

Réocreux, Romain, Michel, Carine, Fleurat-Lessard, Paul, Sautet, Philippe, Steinmann, Stephan N.

Journal:

The Journal of Physical Chemistry C

Year:

2019

Language:

english

File:

PDF, 927 KB

english, 2019

26

Theoretical insight into the origin of the electrochemical promotion of ethylene oxidation on ruthenium oxide

Hajar, Yasmine M., Treps, Laureline, Michel, Carine, Baranova, Elena A., Steinmann, Stephan N.

Journal:

Catalysis Science & Technology

Year:

2019

Language:

english

File:

PDF, 4.99 MB

english, 2019

27

Imaging studies of bacterial biofilms on cochlear implantsâBioactive glass (BAG) inhibits mature biofilm

Kirchhoff, Lisa, Arweiler-Harbeck, Diana, Arnolds, Judith, Hussain, Timon, Hansen, Stefan, Bertram, Ralph, Buer, Jan, Lang, Stephan, Steinmann, Joerg, HÃ¶ing, Benedikt, Mukherjee, Amitava

Journal:

Year:

2020

Language:

english

File:

PDF, 1.47 MB

english, 2020

28

Acetylene Adsorption on Pd-Ag Alloys: Evidence for Limited Island-Formation and Strong Reverse Segregation from Monte Carlo Simulations

Vignola, Emanuele, Steinmann, Stephan N., Le Mapihan, Katell, Vandegehuchte, Bart, Curulla, Daniel, Sautet, Philippe

Journal:

The Journal of Physical Chemistry C

Year:

2018

Language:

english

File:

PDF, 935 KB

english, 2018

29

Role of π-Acceptor Effects in Controlling the Lability of Novel Monofunctional Pt(II) and Pd(II) Complexes: Crystal Structure of [Pt(tripyridinedimethane)Cl]Cl

Petrović, Biljana, Bugarčić, Živadin D., Dees, Anne, Ivanović-Burmazović, Ivana, Heinemann, Frank W., Puchta, Ralph, Steinmann, Stephan N., Corminboeuf, Clemence, van Eldik, Rudi

Journal:

Inorganic Chemistry

Year:

2012

Language:

english

File:

PDF, 2.54 MB

english, 2012

30

Theory and experiments join forces to characterize the electrocatalytic interface

Steinmann, Stephan N., Wei, Zi-Yang, Sautet, Philippe

Journal:

Proceedings of the National Academy of Sciences

Year:

2019

Language:

english

File:

PDF, 624 KB

english, 2019

31

Group Additivity for Aqueous Phase Thermochemical Properties of Alcohols on Pt(111)

Gu, Geun Ho, Schweitzer, Benjamin, Michel, Carine, Steinmann, Stephan N., Sautet, Philippe, Vlachos, Dionisios G.

Journal:

The Journal of Physical Chemistry C

Year:

2017

Language:

english

File:

PDF, 1.08 MB

english, 2017

32

Strong Affinity of Triazolium-Appended Dipyrromethenes (TADs) for BF4â

GuÃ©rin, Charles, Zhang, Zhan, Jean-GÃ©rard, Ludivine, Steinmann, Stephan, Michel, Carine, Andrioletti, Bruno

Journal:

Year:

2020

File:

PDF, 2.01 MB

2020

33

Study of a Novel Hepta-coordinated FeIII Bimetallic Complex with an Unusual 1,2,4,5-Tetrazine-Ring Opening

Lemes, Maykon A., Pialat, Amélie, Steinmann, Stephan N., Korobkov, Ilia, Michel, Carine, Murugesu, Muralee

Journal:

Year:

2015

Language:

english

File:

PDF, 1.22 MB

english, 2015

34

Does Prolonged Oral Treatment with Sustained-Release Morphine Tablets Influence Immune Function?

Palm, Sebastian, Lehzen, Stephan, Mignat, Christian, Steinmann, Joerg, Leimenstoll, Gerd, Maier, Christoph

Journal:

Anesthesia & Analgesia

Year:

1998

Language:

english

File:

PDF, 1.33 MB

english, 1998

35

Water adlayers on noble metal surfaces: Insights from energy decomposition analysis

Clabaut, Paul, Staub, Ruben, Galiana, Joachim, Antonetti, Elise, Steinmann, Stephan N.

Journal:

The Journal of Chemical Physics

Year:

2020

File:

PDF, 1.65 MB

2020

36

A ratiometric fluorescence sensor for caffeine

Luisier, Nicolas, Ruggi, Albert, Steinmann, Stephan N., Favre, Laurane, Gaeng, Nicolas, Corminboeuf, Clémence, Severin, Kay

Journal:

Organic & Biomolecular Chemistry

Year:

2012

Language:

english

File:

PDF, 1.24 MB

english, 2012

37

A fast charge-Dependent atom-pairwise dispersion correction for DFTB3

Petraglia, Riccardo, Steinmann, Stephan N., Corminboeuf, Clemence

Journal:

International Journal of Quantum Chemistry

Year:

2015

Language:

english

File:

PDF, 673 KB

english, 2015

38

Two-Sites Are Better Than One: Revisiting the OER Mechanism on CoOOH by DFT with Electrode Polarization.

Curutchet, Antton, Colinet, Pauline, Michel, Carine, Steinmann, Stephan, Le Bahers, Tangui

Journal:

Physical Chemistry Chemical Physics

Year:

2020

File:

PDF, 1.76 MB

2020

39

Overcoming systematic DFT errors for hydrocarbon reaction energies

Stephan N. Steinmann, Matthew D. Wodrich, Clemence Corminboeuf

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2010

Language:

english

File:

PDF, 911 KB

english, 2010

40

Dispersion-Corrected Energy Decomposition Analysis for Intermolecular Interactions Based on the BLW and dDXDM Methods

Steinmann, Stephan N., Corminboeuf, Clemence, Wu, Wei, Mo, Yirong

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 2.18 MB

english, 2011

41

A Force Field for Water over Pt(111): Development, Assessment and Comparison

Steinmann, Stephan N., Ferreira de Morais, Rodrigo, Götz, Andreas W., Fleurat-Lessard, Paul, Iannuzzi, Marcella, Sautet, Philippe, Michel, Carine

Journal:

Journal of Chemical Theory and Computation

Year:

2018

Language:

english

File:

PDF, 1.26 MB

english, 2018

42

Notizen

Steinmann and Stephan

Journal:

Zeitschrift fuer Theologie und Kirche

Year:

1930

Language:

german

File:

PDF, 698 KB

german, 1930

43

Molecular mechanics models for the image charge, a comment on “including image charge effects in the molecular dynamics simulations of molecules on metal surfaces”

Steinmann, Stephan N., Fleurat-Lessard, Paul, Götz, Andreas W., Michel, Carine, Ferreira de Morais, Rodrigo, Sautet, Philippe

Journal:

Journal of Computational Chemistry

Year:

2017

Language:

english

File:

PDF, 438 KB

english, 2017

44

Computational screening for selective catalysts: Cleaving the C–C bond during ethanol electro-oxidation reaction

Monyoncho, Evans A., Steinmann, Stephan N., Sautet, Philippe, Baranova, Elena A., Michel, Carine

Journal:

Electrochimica Acta

Year:

2018

Language:

english

File:

PDF, 1.51 MB

english, 2018

45

Revisiting the atomistic structures at the interface of Au(111) electrode-sulfuric acid solution

Fang, Yuan, Ding, Songyuan, Zhang, Meng, Steinmann, Stephan N., Hu, Ren, Mao, Bingwei, Feliu, Juan Miguel, Tian, Zhongqun

Journal:

Journal of the American Chemical Society

Year:

2020

File:

PDF, 2.91 MB

2020

46

Demystifying the Atomistic Origin of the Electric Field Effect on Methane Oxidation

Panaritis, Christopher, Hajar, Yasmine M., Treps, Laureline, Michel, Carine, Baranova, Elena A., Steinmann, Stephan N.

Journal:

The Journal of Physical Chemistry Letters

Year:

2020

File:

PDF, 715 KB

2020

47

Size-Dependent Structural, Energetic, and Spectroscopic Properties of MoS 3 Polymorphs

Sahu, Amit, Steinmann, Stephan N., Raybaud, Pascal

Journal:

Crystal Growth & Design

Year:

2020

File:

PDF, 2.22 MB

2020

48

The Mode of Incorporation of As(-I) and Se(-I) in Natural Pyrite Revisited

Manceau, Alain, Merkulova, Margarita, Mathon, Olivier, Glatzel, Pieter, Murdzek, Magdalena, Batanova, Valentina, Simionovici, Alexandre, Steinmann, Stephan N., Paktunc, Dogan

Journal:

ACS Earth and Space Chemistry

Year:

2020

File:

PDF, 9.13 MB

2020

49

Comprehensive Benchmarking of a Density-Dependent Dispersion Correction

Steinmann, Stephan N., Corminboeuf, Clemence

Journal:

Journal of Chemical Theory and Computation

Year:

2011

Language:

english

File:

PDF, 3.39 MB

english, 2011

50

Wave function methods for fractional electrons

Steinmann, Stephan N., Yang, Weitao

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 977 KB

english, 2013

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