Presentations citing CAChe Reseach supplied products at
                  AIChE, Salt Lake City, UT, November 2010       

1. The Paradigm Shift From 'in Vitro' to 'in Silico' Experimentation, Offers Important New Benefits for Education, David A. Gallagher, CAChe Research, Beaverton, Oregon, USA; Wednesday, November 10, 2010: 5:21 PM, venue: 254 A Room (Salt Palace Convention Center). (COSMOtherm, MOPAC)


2.  Reconsideration of the Hydrogen Bond Interaction Energy Expression in the COSMO-RS Model, Andreas Klamt, COSMOlogic, Leverkusen, Germany; Thursday, November 11, 2010: 9:10 AM,  venue: Salon II (Hilton). (COSMOtherm)


3.  Rational Prediction of Flash Points Based On COSMO-RS, Andreas Klamt, COSMOlogic, Leverkusen, Germany; Monday, November 8, 2010: 3:40 PM, venue: 151 A/B Room (Salt Palace Convention Center). (COSMOtherm)


4.  COSMOtherm training course, Tuesday evening 9th Nov.,  Time & venue TBA

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     Presentations citing CAChe Reseach supplied products at
                      ACS, San Francisco, CA, March 2010       

1. A picture is worth a thousand test-tubes: Visualization of computational models provides novel insights that aid understanding of physical and chemical properties, David A. Gallagher, CAChe Research, Beaverton, Oregon, USA; Wednesday, 24th March 2010: 11.05 AM, Parc 55, Room: Haight. (COSMOtherm, MOPAC)
Handouts of Slides (PDF file, 3.4MB)

2.  COSMOmic: Determine distribution of solvents in membranes and micelles with quantum chemistry and COSMO-RS, Uwe Huniar, COSMOlogic, Leverkusen, Germany; Wednesday, 24th March 2010: 11.00 AM, Room 232 East. (COSMOmic)

3.  OpenTox-An Open Source Predictive Toxicology Software Framework
, Sunil Chawla,  Seascape Learning, Cupertino, California, USA; Thursday, 25th March 2010: 10.35 AM, Room 206/210. (OpenTox)

4.  What does logP really mean? Prof. Tim Clark, Universitaet Erlangen-Nuernberg Erlangen, Bavaria, Germany, Wednesday, March 24, 2010, 11:45 AM, Room 238 East. (P
ARASURF)




























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                      Presentations citing COSMOtherm at
              AIChE Meeting in Nashville, TN, November 2009        

1. Quantum Chemistry Simulation of the Condensed Phase Reactions of Bisglycinato Copper(II), Overturns Accepted Theory, David A. Gallagher, CAChe Research, Beaverton, Oregon, USA; Thursday, November 12, 2009: 10:18 AM, Jackson A (Gaylord Opryland Hotel)
Abstract...
Handouts of slides (PDF file, 1.1MB)

2.  Virtual Experiments and Graphical Insights Into Thermodynamics, David A. Gallagher,  CAChe Research, Beaverton, Oregon, USA; 4:27 PM, Monday, November 9, 2009; Cheekwood F (Gaylord Opryland Hotel)
Abstract...
Handouts of slides (PDF file, 3.3MB)

3.  Statistics and Characterization of Ionic Liquids From the Perspective of COSMO-RS Sigma Profiles, Michael Diedenhofen, COSMOlogic GmbH&CoKG, Burscheider Str., Leverkusen, 51381, Germany; 4.45 PM, Thursday, November 12, 2009; Ryman F (Gaylord Opryland Hotel)
Abstract...

4.  COSMO-RS for the Estimation of Pka in Non-Aqueous Solvents, Michael Diedenhofen, COSMOlogic GmbH&CoKG, Burscheider Str., Leverkusen, 51381, Germany; 8.50AM, Tuesday, November 10, Cheekwood A (Gaylord Opryland Hotel)
Abstract...














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                  Presentations citing COSMOtherm at
              AIChE Meeting in Philadelphia, November 2008               

1. A Review of Computational Methods for Predicting Environmental Transport and Fate, David A. Gallagher, CAChe Research, Beaverton, Oregon, USA; Monday, November 17, 2008: 3:15 PM-3:40 PM, Salon B (Marriott Philadelphia Downtown)
Abstract...
Handouts of slides (PDF file, 1.5MB)

2.  Using Computational Methods to Design Experiments, David A. Gallagher,  CAChe Research, Beaverton, Oregon, USA; Wednesday, November 19, 2008: 4:30 PM-4:55 PM, Salon L (Marriott Philadelphia Downtown)
Abstract...
Handouts of slides (PDF file, 2.8MB)

3.  Predictive Thermochemistry from Quantum Chemistry: Current State and Perspectives, Andreas Klamt, COSMOlogic GmbH&CoKG, Burscheider Str., Leverkusen, 51381, Germany; Tuesday, November 18, 2008: 9:20 AM-9:45 AM, Commonwealth C (Loews Philadelphia Hotel)
Abstract...

4.  Cosmomic: Simulation of Bio-Membranes and Micelles with Cosmo-Rs
Andreas Klamt, COSMOlogic GmbH&CoKG, Burscheider Str., Leverkusen, 51381, Germany; Monday, November 17, 2008: 1:30 PM-1:45 PM, Room 112-B (Pennsylvania Convention Center)
Abstract...


5.  Cosmo-Rs for Ionic Systems and Electrolytes: Successes and Limitations
Andreas Klamt, COSMOlogic GmbH&CoKG, Burscheider Str., Leverkusen, 51381, Germany; Wednesday, November 19, 2008: 10:10 AM-10:30 AM, Commonwealth C (Loews Philadelphia Hotel)
Abstract...

6.  Modeling of Reaction with Immobilized Ionic Liquids, Wolfgang Arlt, Alexander Buchele, University of Erlangen, Erlangen, Germany; Wednesday, November 19, 2008: 4:20 PM-4:40 PM, Room 104-A (Pennsylvania Convention Center)
Abstract...

7.  The Role of Solid and Liquid Phase Nonidealities In Determining the Solubility and Purity of Isomorphic Compounds, Angel Olivera-Toro, Amyn S. Teja. Georgia Institute of Technology, Atlanta, GA; Tuesday, November 18, 2008: 8:30 AM-8:50 AM Franklin 5 (Marriott Philadelphia Downtown)
Abstract...


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                    Presentations citing COSMOtherm at
          AIChE & ACS Meeting in New Orleans, April 2008

1. Pre-screening for environmentally-important properties through computational chemistry, David A Gallagher, CAChe Research, Beaverton, Oregon, USA; PAPER ID: 1170432, DIVISION: ACS and AIChE, SESSION: Developing Environmental Foresight through Computational Chemistry and Modeling, Tuesday, April 8, 2008: 8:30-8:55am, Room 349, New Orleans Convention Center
Abstract...
Slides (PDF file, 1MB)

2. 
Screening ionic liquids for green chemistry, David A Gallagher, CAChe Research, Beaverton, Oregon, USA and Andreas Klamt, COSMOlogic GmbH&CoKG, Burscheider Str., Leverkusen, 51381, Germany; PAPER ID: 1170862, DIVISION: ACS and AIChE, SESSION: Green Chemistry & Engineering, Tuesday, April 8, 2008: 9:25-9:50am, Room 350, New Orleans Convention Center
Abstract...

3. 
Treatment and importance of conformations in COSMO-RS, Andreas Klamt, COSMOlogic GmbH&CoKG, Burscheider Str., Leverkusen, 51381, Germany; DIVISION: Division of Computers in Chemistry, SESSION: Computational Phase Equilibria, Tuesday, April 8, 2008 from 11:30 AM to 11:50 AM, New Orleans Convention Center
Abstract...

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                     Presentations citing COSMOtherm at
                AIChE Meeting in Salt Lake City, Nov 2007


1. Understanding The Fundamental Phenomena That Influence Physical Properties And Fluid Thermodynamics; David A. Gallagher, CAChe Research, Beaverton, Oregon, USA and Andreas Klamt, COSMOlogic GmbH&CoKG, Burscheider Str., Leverkusen, 51381, Germany, Tuesday, November 6, 2007 - 3:55 PM, 287b
Slides (PDF file, 3MB)


2.  New Insights Into Solvation Effects, Resolves An Apparent Paradox; David A. Gallagher, CAChe Research, Beaverton, Oregon, USA; Monday, November 5, 2007 - 1:26 PM, 114d
Slides (PDF file, 1MB)


3.  Cosmomic: Simulation Of Bio-Membranes And Micelles With Cosmo-Rs; Andreas Klamt, Michael Diedenhofen, and Uwe Huniar, COSMOlogic GmbH&CoKG, Burscheider Str., Leverkusen, 51381, Germany; Monday, November 5, 2007 - 1:21 PM, 115i

4.  Property Prediction of Ionic Liquid Solutions Using Cosmo-Rs; Michael Diedenhofen, Andreas Klamt, COSMOlogic GmbH&CoKG, Burscheider Str., Leverkusen, 51381, Germany, and Kenneth N. Marsh, Department of Chemical and Process Engineering, University of Canterbury, Private Bag 4800, Christchurch, New Zealand, Tuesday, November 6, 2007 - 1:20 PM, 239c
Slides (PDF file, 400KB)

5.  Prediction of the Partitioning Coefficients with Cosmo-Rs; Michael Diedenhofen, and Andreas Klamt, COSMOlogic GmbH&CoKG, Burscheider Str., Leverkusen, 51381, Germany, Monday, November 5, 2007 - 2:25 PM, 82f
Slides (PDF file, 300KB)

                                                             







COSMOtherm Bibliography
 
5.   COSMOtherm hands-on training (Free)

Training Course:
COSMOtherm hands-on introductory training course with 30 minutes presentation and 90 minutes hands-on exercises.

Venue and time:
Venue - AIChE in Nashville, TN, USA at Gaylord Opryland Hotel, Room Belmont C.
Time - Tuesday 10 November 2009,  7PM - 9PM.

Closed
CAChe Research
   Computer-Aided Chemistry & Biochemistry
5.   TURBOMOLE (Quantum chemistry) User Group (Free)
The Turbomole User Group meeting will start with an overview of the new 6.1 release, and include a general Q & A session. Short presentations relating to Turbomole are invited from all users.  Please Email your abstract to dgallagher@cacheresearch.com

Venue and time:
San Francisco (ACS), Tuesday 23rd March 2010, 3.30 - 4.30 PM
Room 110, Moscone Center

REGISTRATION: No charge, but space limited, so please reserve your seat with dgallagher@cacheresearch.com
(you do not need to be registered for ACS to attend)

6.
   TURBOMOLE (Quantum chemistry) TRAINING (Free)
Turbomole hands-on training session for users who want to learn more about this popular quantum chemistry package, and it's capabilities.  No prior Turbomole experience necessary.  An evaluation copy of Turbomole will be provided,  but please bring your own laptop.


Venue and time:
San Francisco (ACS), Tuesday 23rd March 2010, 4.30 - 6.00 PM
Room 110, Moscone Center

REGISTRATION: No charge, but space limited, so please reserve your seat with dgallagher@cacheresearch.com
(you do not need to be registered for ACS to attend)
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