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1

Open Babel: An open chemical toolbox

Noel M O’Boyle, Michael Banck, Craig A James, Chris Morley, Tim Vandermeersch, Geoffrey R Hutchison

Journal:

Journal of Cheminformatics

Year:

2011

Language:

english

File:

PDF, 584 KB

english, 2011

2

Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years on

Noel M O’Boyle, Rajarshi Guha, Egon L Willighagen, Samuel E Adams, Jonathan Alvarsson, Jean-Claude Bradley, Igor V Filippov, Robert M Hanson, Marcus D Hanwell, Geoffrey R Hutchison, Craig A James, Nin

Journal:

Journal of Cheminformatics

Year:

2011

Language:

english

File:

PDF, 750 KB

english, 2011

3

Avogadro: an advanced semantic chemical editor, visualization, and analysis platform

Hanwell, Marcus D, Curtis, Donald E, Lonie, David C, Vandermeersch, Tim, Zurek, Eva, Hutchison, Geoffrey R

Journal:

Journal of Cheminformatics

Year:

2012

Language:

english

File:

PDF, 7.41 MB

english, 2012

4

Control mechanisms for transport and nonlinear optical response in organic materials: a tale of twists and barriers

Antonio Facchetti, Geoffrey R. Hutchison, Shahar Keinan, Mark A. Ratner

Journal:

Inorganica Chimica Acta

Year:

2004

Language:

english

File:

PDF, 560 KB

english, 2004

5

Cinfony – combining Open Source cheminformatics toolkits behind a common interface

Noel M O'Boyle, Geoffrey R Hutchison

Journal:

Chemistry Central Journal

Year:

2008

Language:

english

File:

PDF, 362 KB

english, 2008

6

Pybel: a Python wrapper for the OpenBabel cheminformatics toolkit

Noel M O'Boyle, Chris Morley, Geoffrey R Hutchison

Journal:

Chemistry Central Journal

Year:

2008

Language:

english

File:

PDF, 311 KB

english, 2008

7

De novodesign of molecular wires with optimal properties for solar energy conversion

Noel M O’Boyle, Casey M Campbell, Geoffrey R Hutchison

Journal:

Journal of Cheminformatics

Year:

2011

Language:

english

File:

PDF, 162 KB

english, 2011

8

Confab - Systematic generation of diverse low-energy conformers

Noel M O’Boyle, Tim Vandermeersch, Christopher J Flynn, Anita R Maguire, Geoffrey R Hutchison

Journal:

Journal of Cheminformatics

Year:

2011

Language:

english

File:

PDF, 1.04 MB

english, 2011

9

Charge Transport in Imperfect Organic Field Effect Transistors: Effects of Charge Traps

Madison, Tamika A., Gagorik, Adam G., Hutchison, Geoffrey R.

Journal:

The Journal of Physical Chemistry C

Year:

2012

Language:

english

File:

PDF, 2.09 MB

english, 2012

10

Building Blocks for N-Type Molecular and Polymeric Electronics. Perfluoroalkyl- versus Alkyl-Functionalized Oligothiophenes (nTs; n = 2−6). Systematic Synthesis, Spectroscopy, Electrochemistry, and Solid-State Organization

Facchetti, Antonio, Yoon, Myung-Han, Stern, Charlotte L., Hutchison, Geoffrey R., Ratner, Mark A., Marks, Tobin J.

Journal:

Journal of the American Chemical Society

Year:

2004

Language:

english

File:

PDF, 702 KB

english, 2004

11

Computational Design and Selection of Optimal Organic Photovoltaic Materials

O’Boyle, Noel M., Campbell, Casey M., Hutchison, Geoffrey R.

Journal:

The Journal of Physical Chemistry C

Year:

2011

Language:

english

File:

PDF, 4.81 MB

english, 2011

12

Simulating Charge Injection and Dynamics in Microscale Organic Field-Effect Transistors

Gagorik, Adam G., Hutchison, Geoffrey R.

Journal:

The Journal of Physical Chemistry C

Year:

2012

Language:

english

File:

PDF, 798 KB

english, 2012

13

Electronic Coupling between Two Amine Redox Sites through the 5,5′-Positions of Metal-Chelating 2,2′-Bipyridines

Hai-Jing Nie, Xialing Chen, Chang-Jiang Yao, Prof. Dr. Yu-Wu Zhong, Prof. Dr. Geoffrey R. Hutchison, Prof. Dr. Jiannian Yao

Journal:

Chemistry - A European Journal

Year:

2012

Language:

english

File:

PDF, 1.38 MB

english, 2012

14

Monte Carlo Simulations of Charge Transport in 2D Organic Photovoltaics

Gagorik, Adam G., Mohin, Jacob W., Kowalewski, Tomasz, Hutchison, Geoffrey R.

Journal:

The Journal of Physical Chemistry Letters

Year:

2013

Language:

english

File:

PDF, 2.23 MB

english, 2013

15

Efficient Computational Screening of Organic Polymer Photovoltaics

Kanal, Ilana Y., Owens, Steven G., Bechtel, Jonathon S., Hutchison, Geoffrey R.

Journal:

The Journal of Physical Chemistry Letters

Year:

2013

Language:

english

File:

PDF, 2.78 MB

english, 2013

16

Oxidation-Induced Photoluminescence of Conjugated Polymers

Cativo, Ma. Helen M., Kamps, Amanda C., Gao, Jian, Grey, John K., Hutchison, Geoffrey R., Park, So-Jung

Journal:

Journal of Physical Chemistry B

Year:

2013

Language:

english

File:

PDF, 423 KB

english, 2013

17

Hopping Transport in Conductive Heterocyclic Oligomers: Reorganization Energies and Substituent Effects

Hutchison, Geoffrey R., Ratner, Mark A., Marks, Tobin J.

Journal:

Journal of the American Chemical Society

Year:

2005

Language:

english

File:

PDF, 266 KB

english, 2005

18

Accurate Prediction of Band Gaps in Neutral Heterocyclic Conjugated Polymers

Hutchison, Geoffrey R., Ratner, Mark A., Marks, Tobin J.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 289 KB

english, 2002

19

Intermolecular Charge Transfer between Heterocyclic Oligomers. Effects of Heteroatom and Molecular Packing on Hopping Transport in Organic Semiconductors

Hutchison, Geoffrey R., Ratner, Mark A., Marks, Tobin J.

Journal:

Journal of the American Chemical Society

Year:

2005

Language:

english

File:

PDF, 1.17 MB

english, 2005

20

Elucidation of the Redox Behavior of 2,5-Dimercapto-1,3,4-thiadiazole (DMcT) at Poly(3,4-ethylenedioxythiophene) (PEDOT)-Modified Electrodes and Application of the DMcT−PEDOT Composite Cathodes to Lithium/Lithium Ion Batteries †

Kiya, Yasuyuki, Hutchison, Geoffrey R., Henderson, Jay C., Sarukawa, Tomoo, Hatozaki, Osamu, Oyama, Noboru, Abruña, Héctor D.

Journal:

Year:

2006

Language:

english

File:

PDF, 265 KB

english, 2006

21

The Blue Obelisk—Interoperability in Chemical Informatics

Guha, Rajarshi, Howard, Michael T., Hutchison, Geoffrey R., Murray-Rust, Peter, Rzepa, Henry, Steinbeck, Christoph, Wegner, Jörg, Willighagen, Egon L.

Journal:

Journal of Chemical Information and Modeling

Year:

2006

Language:

english

File:

PDF, 314 KB

english, 2006

22

HIV Testing Practices of Primary Care Physicians: An Ontario Survey

Evelyn M. Skotniski, Christel Woodward, Brian Hutchison, Julia Abelson, Judy Brown and Geoffrey Norman

Journal:

Canadian Journal of Public Health / Revue Canadienne de Sante'e Publique

Year:

1996

Language:

english

File:

PDF, 1.47 MB

english, 1996

23

Effects of Charge Localization on the Orbital Energies of Bithiophene Clusters

Madison, Tamika A., Hutchison, Geoffrey R.

Journal:

The Journal of Physical Chemistry C

Year:

2011

Language:

english

File:

PDF, 1.74 MB

english, 2011

24

Charge Transport in Imperfect Organic Field Effect Transistors: Effects of Explicit Defects and Electrostatics †

Hanwell, Marcus D., Madison, Tamika A., Hutchison, Geoffrey R.

Journal:

The Journal of Physical Chemistry C

Year:

2010

Language:

english

File:

PDF, 2.63 MB

english, 2010

25

Adsorption of Polar Molecules on a Molecular Surface

Hutchison, Geoffrey R., Ratner, Mark A., Marks, Tobin J., Naaman, R.

Journal:

Journal of Physical Chemistry B

Year:

2001

Language:

english

File:

PDF, 52 KB

english, 2001

26

Single-Molecule Piezoelectric Deformation: Rational Design from First-Principles Calculations

Quan, Xinfeng, Marvin, Christopher W., Seebald, Leah, Hutchison, Geoffrey R.

Journal:

The Journal of Physical Chemistry C

Year:

2013

Language:

english

File:

PDF, 1.76 MB

english, 2013

27

Charge Hopping in Molecular Wires as a Sequence of Electron-Transfer Reactions

Berlin, Yuri A., Hutchison, Geoffrey R., Rempala, Pawel, Ratner, Mark A., Michl, Josef

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 164 KB

english, 2003

28

Piezoelectric Effects of Applied Electric Fields on Hydrogen-Bond Interactions: First-Principles Electronic Structure Investigation of Weak Electrostatic Interactions

Werling, Keith A., Hutchison, Geoffrey R., Lambrecht, Daniel S.

Journal:

The Journal of Physical Chemistry Letters

Year:

2013

Language:

english

File:

PDF, 1.39 MB

english, 2013

29

Piezoelectric Hydrogen Bonding: Computational Screening for a Design Rationale

Werling, Keith A., Griffin, Maryanne, Hutchison, Geoffrey R., Lambrecht, Daniel S.

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 691 KB

english, 2014

30

Building Blocks for n-Type Molecular and Polymeric Electronics. Perfluoroalkyl- versus Alkyl-Functionalized Oligothiophenes (nT; n = 2−6). Systematics of Thin Film Microstructure, Semiconductor Performance, and Modeling of Majority Charge Injection in Field-Effect Transistors

Facchetti, Antonio, Mushrush, Melissa, Yoon, Myung-Han, Hutchison, Geoffrey R., Ratner, Mark A., Marks, Tobin J.

Journal:

Journal of the American Chemical Society

Year:

2004

Language:

english

File:

PDF, 470 KB

english, 2004

31

Asymmetric Surface Potential Energy Distributions in Organic Electronic Materials via Kelvin Probe Force Microscopy

Hoffmann, Paula B., Gagorik, Adam G., Chen, Xialing, Hutchison, Geoffrey R.

Journal:

The Journal of Physical Chemistry C

Year:

2013

Language:

english

File:

PDF, 2.63 MB

english, 2013

32

Electronic Structure and Band Gaps in Cationic Heterocyclic Oligomers. Multidimensional Analysis of the Interplay of Heteroatoms, Substituents, Molecular Length, and Charge on Redox and Transparency Characteristics

Hutchison, Geoffrey R., Ratner, Mark A., Marks, Tobin J.

Journal:

Journal of Physical Chemistry B

Year:

2005

Language:

english

File:

PDF, 475 KB

english, 2005

33

Anode Interfacial Engineering Approaches to Enhancing Anode/Hole Transport Layer Interfacial Stability and Charge Injection Efficiency in Organic Light-Emitting Diodes

Cui, Ji, Huang, Qinglan, Veinot, Jonathan C. G., Yan, He, Wang, Qingwu, Hutchison, Geoffrey R., Richter, Andrew G., Evmenenko, Guennadi, Dutta, Pulak, Marks, Tobin J.

Journal:

Year:

2002

Language:

english

File:

PDF, 1.08 MB

english, 2002

34

Sequence Matters: Modulating Electronic and Optical Properties of Conjugated Oligomers via Tailored Sequence

Norris, Benjamin N., Zhang, Shaopeng, Campbell, Casey M., Auletta, Jeffrey T., Calvo-Marzal, Percy, Hutchison, Geoffrey R., Meyer, Tara Y.

Journal:

Year:

2013

Language:

english

File:

PDF, 1.56 MB

english, 2013

35

Synthesis, computational and electrochemical characterization of a family of functionalized dimercaptothiophenes for potential use as high-energy cathode materials for lithium/lithium-ion batteries

Kiya, Yasuyuki, Henderson, Jay C., Hutchison, Geoffrey R., Abruña, Héctor D.

Journal:

Journal of Materials Chemistry

Year:

2007

Language:

english

File:

PDF, 618 KB

english, 2007

36

A successful route to isobenzofulvene and some of its derivatives

Warrener, Ronald N., Collin, Geoffery J., Hutchison, Geoffrey I., Paddon-Row, Michael N.

Journal:

Journal of the Chemical Society Chemical Communications

Year:

1976

Language:

english

File:

PDF, 119 KB

english, 1976

37

Effects of Delocalized Charge Carriers in Organic Solar Cells: Predicting Nanoscale Device Performance from Morphology

Gagorik, Adam G., Mohin, Jacob W., Kowalewski, Tomasz, Hutchison, Geoffrey R.

Journal:

Advanced Functional Materials

Year:

2015

Language:

english

File:

PDF, 3.14 MB

english, 2015

38

Turing patterns in a self-replicating mechanism with a self-complementary template

Tsai, Leo L., Hutchison, Geoffrey R., Peacock-López, Enrique

Journal:

The Journal of Chemical Physics

Year:

2000

Language:

english

File:

PDF, 605 KB

english, 2000

39

Children’s psychological and behavioral responses following pediatric intensive care unit hospitalization: the caring intensively study

Rennick, Janet E, Dougherty, Geoffrey, Chambers, Christine, Stremler, Robyn, Childerhose, Janet E, Stack, Dale M, Harrison, Denise, Campbell-Yeo, Marsha, Dryden-Palmer, Karen, Zhang, Xun, Hutchison, J

Journal:

Year:

2014

Language:

english

File:

PDF, 428 KB

english, 2014

40

PERILS AND PROSPECTS IN TOWN AND COUNTRY: A CONFERENCE

DUNCAN SANDYS, W. G. HOSKINS, HUGH CASSON, G. A. JELLICOE, W. H. GIFFARD, GEOFFREY HUTCHISON, S. A. SADLER FORSTER, JOHN BETJEMAN and HENRY MORRIS

Journal:

Journal of the Royal Society of Arts

Year:

1956

Language:

english

File:

PDF, 4.27 MB

english, 1956

41

Early intervention with erythropoietin does not affect the outcome of acute kidney injury (the EARLYARF trial)

Endre, Zoltán H, Walker, Robert J, Pickering, John W, Shaw, Geoffrey M, Frampton, Christopher M, Henderson, Seton J, Hutchison, Robyn, Mehrtens, Jan E, Robinson, Jillian M, Schollum, John B W, Westhuy

Journal:

Kidney International

Year:

2010

Language:

english

File:

PDF, 360 KB

english, 2010

42

Sequence Effects in Conjugated Donor-Acceptor Trimers and Polymers

Zhang, Shaopeng, Hutchison, Geoffrey R., Meyer, Tara Y.

Journal:

Macromolecular Rapid Communications

Year:

2016

Language:

english

File:

PDF, 709 KB

english, 2016

43

SPIE Proceedings [SPIE 1999 Symposium on Smart Structures and Materials - Newport Beach, CA (Monday 1 March 1999)] Smart Structures and Materials 1999: Electroactive Polymer Actuators and Devices - Development of polypyrrole-based electromechanical actuators

Hutchison, A. S., Lewis, Trevor W., Moulton, S. E., Spinks, Geoffrey M., Wallace, Gordon G., Bar-Cohen, Yoseph

Year:

1999

Language:

english

File:

PDF, 2.14 MB

english, 1999

44

Book Notes

Ivonia Rebelo, Brian Snowdon, Geoffrey M. Hodgson, John Hillard, Terence Hutchison, Klaus Schabacker, Keith Tribe, Gianni de Fraja, Martin Chalkley, Hugh Gravelle, Ian Smith, Hans-Peter-Weikard, Nicho

Journal:

The Economic Journal

Year:

1998

Language:

english

File:

PDF, 1019 KB

english, 1998

45

Sequence Effects in Donor–Acceptor Oligomeric Semiconductors Comprising Benzothiadiazole and Phenylenevinylene Monomers

Zhang, Shaopeng, Bauer, Nicole E., Kanal, Ilana Y., You, Wei, Hutchison, Geoffrey R., Meyer, Tara Y.

Journal:

Year:

2017

Language:

english

File:

PDF, 2.37 MB

english, 2017

46

Dodecyl-β-melibioside Detergent Micelles as a Medium for Membrane Proteins

Hutchison, James M., Lu, Zhenwei, Li, Geoffrey C., Travis, Benjamin, Mittal, Ritesh, Deatherage, Catherine L., Sanders, Charles R.

Journal:

Year:

2017

Language:

english

File:

PDF, 1.40 MB

english, 2017

47

A sobering assessment of small-molecule force field methods for low energy conformer predictions

Kanal, Ilana Y., Keith, John A., Hutchison, Geoffrey R.

Journal:

International Journal of Quantum Chemistry

Year:

2017

Language:

english

File:

PDF, 958 KB

english, 2017

48

Interplay Among Sequence, Folding Propensity, and Bio-Piezoelectric Response in Short Peptides and Peptoids

Marvin, Christopher W, Grimm, Haley M., Miller, Nathaniel C., Horne, W. Seth, Hutchison, Geoffrey R

Journal:

Journal of Physical Chemistry B

Year:

2017

Language:

english

File:

PDF, 811 KB

english, 2017

49

Polarizable Drude Model with s-type Gaussian or Slater Charge Density for General Molecular Mechanics Force Fields

Ghahremanpour, Mohammad Mehdi, van Maaren, Paul J., Caleman, Carl, Hutchison, Geoffrey R, van der Spoel, David

Journal:

Journal of Chemical Theory and Computation

Year:

2018

Language:

english

File:

PDF, 3.42 MB

english, 2018

50

Fast, efficient fragment-based coordinate generation for Open Babel

Yoshikawa, Naruki, Hutchison, Geoffrey R.

Journal:

Journal of Cheminformatics

Year:

2019

Language:

english

File:

PDF, 1.11 MB

english, 2019

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