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1

COSMO-RS: An Alternative to Simulation for Calculating Thermodynamic Properties of Liquid Mixtures

Klamt, Andreas, Eckert, Frank, Arlt, Wolfgang

Journal:

Annual Review of Chemical and Biomolecular Engineering

Year:

2010

Language:

english

File:

PDF, 680 KB

english, 2010

2

Fast solvent screening via quantum chemistry: COSMO-RS approach

Frank Eckert, Andreas Klamt

Journal:

Year:

2002

Language:

english

File:

PDF, 1.42 MB

english, 2002

3

COSMO: a new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient

Klamt, A., Sch��rmann, G.

Journal:

Journal of the Chemical Society Perkin Transactions 2

Year:

1993

Language:

english

File:

PDF, 933 KB

english, 1993

4

The COSMO and COSMO-RS solvation models

Journal:

Wiley Interdisciplinary Reviews: Computational Molecular Science

Year:

2017

Language:

english

File:

PDF, 340 KB

english, 2017

5

Prediction of the temperature dependence of a polyether–water mixture using COSMOtherm

Jens Reinisch, Andreas Klamt, Frank Eckert, Michael Diedenhofen

Journal:

Fluid Phase Equilibria

Year:

2011

Language:

english

File:

PDF, 388 KB

english, 2011

6

Rational coformer or solvent selection for pharmaceutical cocrystallization or desolvation

Yuriy A. Abramov, Christoph Loschen, Andreas Klamt

Journal:

Journal of Pharmaceutical Sciences

Year:

2012

Language:

english

File:

PDF, 337 KB

english, 2012

7

The COSMO and COSMO-RS solvation models

Journal:

Wiley Interdisciplinary Reviews: Computational Molecular Science

Year:

2011

Language:

english

File:

PDF, 222 KB

english, 2011

8

New Molecular Descriptors to Identify Surfactants and Solubilizers from Electron Density Distributions

Gaudin, Théophile, Pezron, Isabelle, Klamt, Andreas

Journal:

Journal of Surfactants and Detergents

Year:

2018

Language:

english

File:

PDF, 1.15 MB

english, 2018

9

COSMO-RS as a tool for property prediction of IL mixtures—A review

Michael Diedenhofen, Andreas Klamt

Journal:

Fluid Phase Equilibria

Year:

2010

Language:

english

File:

PDF, 590 KB

english, 2010

10

COSMO quick : A Novel Interface for Fast σ-Profile Composition and Its Application to COSMO-RS Solvent Screening Using Multiple Reference Solvents

Loschen, Christoph, Klamt, Andreas

Journal:

Industrial & Engineering Chemistry Research

Year:

2012

Language:

english

File:

PDF, 515 KB

english, 2012

11

Generalizing Diffuse Interface Methods on Graphs: Nonsmooth Potentials and Hypergraphs

Bosch, Jessica, Klamt, Steffen, Stoll, Martin

Journal:

SIAM Journal on Applied Mathematics

Year:

2018

Language:

english

File:

PDF, 2.79 MB

english, 2018

12

An extreme drought event homogenises the diatom composition of two shallow lakes in southwest China

Klamt, Anna-Marie, Hu, Kui, Huang, Linpei, Chen, Xiaolin, Liu, Xiaolong, Chen, Guangjie

Journal:

Ecological Indicators

Year:

2020

Language:

english

File:

PDF, 1.98 MB

english, 2020

13

Calculability analysis in underdetermined metabolic networks illustrated by a model of the central metabolism in purple nonsulfur bacteria

Steffen Klamt, Stefan Schuster, Ernst Dieter Gilles

Journal:

Biotechnology and Bioengineering

Year:

2002

Language:

english

File:

PDF, 268 KB

english, 2002

14

[IEEE 2015 IEEE Electrical Insulation Conference - Seattle, WA, USA (2015.6.7-2015.6.10)] 2015 IEEE Electrical Insulation Conference (EIC) - Formaldehyde-free varnishing on stator core sheets to prevent formaldehyde emissions

Klamt, T., Bechir, E.

Year:

2015

Language:

english

File:

PDF, 1.06 MB

english, 2015

15

Room temperature ionic liquids as replacements for conventional solvents – A review

Kenneth N. Marsh, Alex Deev, Alex C-T. Wu, Emma Tran, A. Klamt

Journal:

Korean Journal of Chemical Engineering

Year:

2002

Language:

english

File:

PDF, 786 KB

english, 2002

16

Prediction, fine tuning, and temperature extrapolation of a vapor liquid equilibrium using COSMOtherm

Andreas Klamt, Frank Eckert

Journal:

Fluid Phase Equilibria

Year:

2007

Language:

english

File:

PDF, 773 KB

english, 2007

17

COSMO f rag : A Novel Tool for High-Throughput ADME Property Prediction and Similarity Screening Based on Quantum Chemistry

Hornig, Martin, Klamt, Andreas

Journal:

Journal of Chemical Information and Modeling

Year:

2005

Language:

english

File:

PDF, 293 KB

english, 2005

18

Gestão agroecológica de microbacias hidrográficas através de técnicas de geoprocessamento e sensoriamento remoto: caso Fazenda Pantanoso

Santos, Fioravante Jaekel dos, Klamt, Egon

Journal:

Year:

2004

File:

PDF, 341 KB

2004

19

Discrete logic modelling as a means to link protein signalling networks with functional analysis of mammalian signal transduction

Saez-Rodriguez, Julio, Alexopoulos, Leonidas G, Epperlein, Jonathan, Samaga, Regina, Lauffenburger, Douglas A, Klamt, Steffen, Sorger, Peter K

Journal:

Molecular Systems Biology

Year:

2009

Language:

english

File:

PDF, 1.83 MB

english, 2009

20

Land-use and climate controls on aquatic carbon cycling and phototrophs in karst lakes of southwest China

Liu, Yuanyuan, Chen, Guangjie, Meyer-Jacob, Carsten, Huang, Linpei, Liu, Xiaolong, Huang, Guangcai, Klamt, Anna-Marie, Smol, John P.

Journal:

Science of The Total Environment

Year:

2021

File:

PDF, 3.39 MB

2021

21

Room Temperature Ionic Liquids as Replacements for Conventional Solvents: A Review.

Kenneth N. Marsh, Alex Deev, Alex C-T. Wu, Emma Tran, A. Klamt

Journal:

Year:

2002

File:

PDF, 25 KB

2002

22

Conductor-like Screening Model for Real Solvents: A New Approach to the Quantitative Calculation of Solvation Phenomena

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 2.02 MB

english, 1995

23

Prediction of Solubilities and Partition Coefficients in Polymers Using COSMO-RS

Loschen, Christoph, Klamt, Andreas

Journal:

Industrial & Engineering Chemistry Research

Year:

2014

Language:

english

File:

PDF, 2.00 MB

english, 2014

24

Forscher als Normbrecher: Das Experiment als empirischer Zugang der Rechts-, Raum- und Sozialforschung

Journal:

Zeitschrift für Rechtssoziologie

Year:

2006

Language:

english

File:

PDF, 286 KB

english, 2006

25

Prediction or partition coefficients and activity coefficients of two branched compounds using COSMOtherm

Andreas Klamt, Frank Eckert, Michael Diedenhofen

Journal:

Fluid Phase Equilibria

Year:

2009

Language:

english

File:

PDF, 192 KB

english, 2009

26

Comment on “Computational studies on organic reactivity in ionic liquids” by C. Chiappe and C. S. Pomelli, Phys. Chem. Chem. Phys., 2013, 15, 412

Klamt, Andreas, Schenk, Stephan, Deglmann, Peter, Herrero, Jose Palomar

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 931 KB

english, 2013

27

Solubility prediction, solvate and cocrystal screening as tools for rational crystal engineering

Loschen, Christoph, Klamt, Andreas

Journal:

Journal of Pharmacy and Pharmacology

Year:

2015

Language:

english

File:

PDF, 701 KB

english, 2015

28

Prediction of soil sorption coefficients with a conductor-like screening model for real solvents

Andreas Klamt, Frank Eckert, Michael Diedenhofen

Journal:

Environmental Toxicology and Chemistry

Year:

2002

Language:

english

File:

PDF, 97 KB

english, 2002

29

Estimation of gas-phase hydroxyl radical rate constants of oxygenated compounds based on molecular orbital calculations

Journal:

Atmospheric Environment

Year:

1996

Language:

english

File:

PDF, 65 KB

english, 1996

30

Calculation of UV/Vis Spectra in Solution

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 238 KB

english, 1996

31

Prediction of Blood-Βrain Partitioning and Human Serum Albumin Binding Based on COSMO-RS σ-Moments

Wichmann, Karin, Diedenhofen, Michael, Klamt, Andreas

Journal:

Journal of Chemical Information and Modeling

Year:

2007

Language:

english

File:

PDF, 71 KB

english, 2007

32

Reliable Quantum Chemical Prediction of the Localized/Delocalized Character of Organic Mixed-Valence Radical Anions. From Continuum Solvent Models to Direct-COSMO-RS

Renz, Manuel, Kess, Martin, Diedenhofen, Michael, Klamt, Andreas, Kaupp, Martin

Journal:

Journal of Chemical Theory and Computation

Year:

2012

Language:

english

File:

PDF, 1.01 MB

english, 2012

33

First Principles Calculations of Aqueous p K a Values for Organic and Inorganic Acids Using COSMO−RS Reveal an Inconsistency in the Slope of the p K a Scale

Klamt, Andreas, Eckert, Frank, Diedenhofen, Michael, Beck, Michael E.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 76 KB

english, 2003

34

3D-QSAR reloaded: Open3DALIGN meets COSMOsar3D

Paolo Tosco, Andreas Klamt

Journal:

Journal of Cheminformatics

Year:

2013

Language:

english

File:

PDF, 288 KB

english, 2013

35

COSMO-RS || Life science applications of COSMO-RS

Year:

2005

Language:

english

File:

PDF, 11.78 MB

english, 2005

36

On the Performance of Continuum Solvation Methods. A Comment on “Universal Approaches to Solvation Modeling”

Klamt, Andreas, Mennucci, Benedetta, Tomasi, Jacopo, Barone, Vincenzo, Curutchet, Carles, Orozco, Modesto, Luque, F. Javier

Journal:

Accounts of Chemical Research

Year:

2009

Language:

english

File:

PDF, 107 KB

english, 2009

37

COSMOsim3D for drug-similarity, alignment, and molecular field analysis

Andreas Klamt, Karin Wichmann, Michael Thormann

Journal:

Journal of Cheminformatics

Year:

2012

Language:

english

File:

PDF, 57 KB

english, 2012

38

[IEEE 2012 IEEE International Symposium on Electrical Insulation (ISEI) - San Juan, PR, USA (2012.06.10-2012.06.13)] 2012 IEEE International Symposium on Electrical Insulation - High voltage machines operating at high altitude — Dielectric considerations

Year:

2012

Language:

english

File:

PDF, 567 KB

english, 2012

39

Use of Surface Charges from DFT Calculations To Predict Intestinal Absorption

Jones, Ron, Connolly, Paul C., Klamt, Andreas, Diedenhofen, Michael

Journal:

Journal of Chemical Information and Modeling

Year:

2005

Language:

english

File:

PDF, 118 KB

english, 2005

40

Validation of the COSMO-RS Method: Six Binary Systems

Eckert, Frank, Klamt, Andreas

Journal:

Industrial & Engineering Chemistry Research

Year:

2001

Language:

english

File:

PDF, 89 KB

english, 2001

41

Der Güterichter als Konfliktmanager – Projektion und Wirklichkeit

Klamt, Antje, Moltmann-Willisch, Anne-Ruth

Journal:

Zeitschrift für Konfliktmanagement

Year:

2015

Language:

german

File:

PDF, 495 KB

german, 2015

42

Methylglyoxal-Induced Protection Response and Toxicity: Role of Glutathione Reductase and Thioredoxin Systems

Schmitz, Ariana Ern, de Souza, Luiz Felipe, dos Santos, Barbara, Maher, Pamela, Lopes, Fernanda Martins, Londero, Giovana Ferreira, Klamt, Fabio, Dafre, Alcir Luiz

Journal:

Neurotoxicity Research

Year:

2017

Language:

english

File:

PDF, 1.53 MB

english, 2017

43

Visual sonority in Brazilian Sign Language literature

Klamt, Marilyn Mafra

Journal:

Revista Brasileira de Linguística Aplicada

Year:

2017

Language:

english

File:

PDF, 1017 KB

english, 2017

44

Prediction of free energies of hydration with COSMO-RS on the SAMPL3 data set

Jens Reinisch, Andreas Klamt, Michael Diedenhofen

Journal:

Journal of Computer-Aided Molecular Design

Year:

2012

Language:

english

File:

PDF, 606 KB

english, 2012

45

Interpretation of experimental hydrogen-bond enthalpies and entropies from COSMO polarisation charge densities

Klamt, Andreas, Reinisch, Jens, Eckert, Frank, Graton, Jérôme, Le Questel, Jean-Yves

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.20 MB

english, 2013

46

FlÃ¼ssig vorhergesagt

Hellweg, Arnim, Klamt, Andreas

Journal:

Nachrichten aus der Chemie

Year:

2010

Language:

german

File:

PDF, 1.49 MB

german, 2010

47

Prediction of free energies of hydration with COSMO-RS on the SAMPL4 data set

Reinisch, Jens, Klamt, Andreas

Journal:

Journal of Computer-Aided Molecular Design

Year:

2014

Language:

english

File:

PDF, 217 KB

english, 2014

48

COSMO-RS as a Predictive Tool for Lipophilicity

Carsten Wittekindt, Andreas Klamt

Journal:

Molecular Informatics

Year:

2009

Language:

english

File:

PDF, 154 KB

english, 2009

49

COSMO-RS Volume 5623 || Dielectric continuum solvation models and COSMO

Year:

2005

Language:

english

File:

PDF, 41 KB

english, 2005

50

[IEEE 2010 IEEE International Symposium on Electrical Insulation (ISEI) - San Diego, CA, USA (2010.06.6-2010.06.9)] 2010 IEEE International Symposium on Electrical Insulation - Design and shop testing for XIANG JIA BA 23kV stator winding

Klamt, Thomas, Yang, Zhongguo

Year:

2010

Language:

english

File:

PDF, 593 KB

english, 2010

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