-
1
-
-
0027695846
-
Self-Assembly in Living Nematics
-
- 6610
-
Bladon, P.; Griffin, A. Self-Assembly in Living Nematics Macromolecules 1993, 26, 6604-6610
-
(1993)
Macromolecules
, vol.26
, pp. 6604
-
-
Bladon, P.1
Griffin, A.2
-
2
-
-
84887885843
-
Towards Directional Assembly of Hierarchical Structures: Aniline Oligomers as the Model Precursors
-
- 2626
-
Zhao, Y.; Stejskal, J.; Wang, J. Towards Directional Assembly of Hierarchical Structures: Aniline Oligomers as the Model Precursors Nanoscale 2013, 5, 2620-2626
-
(2013)
Nanoscale
, vol.5
, pp. 2620
-
-
Zhao, Y.1
Stejskal, J.2
Wang, J.3
-
3
-
-
77955168466
-
Hydrogen Bond-Mediated Self-Assembly of Polyhedral Oligomeric Silsequioxane-Based Supramolecules
-
- 12862
-
Shih, R.; Lu, C.; Kuo, S.; Chang, F. Hydrogen Bond-Mediated Self-Assembly of Polyhedral Oligomeric Silsequioxane-Based Supramolecules J. Phys. Chem. C 2010, 114, 12855-12862
-
(2010)
J. Phys. Chem. C
, vol.114
, pp. 12855
-
-
Shih, R.1
Lu, C.2
Kuo, S.3
Chang, F.4
-
4
-
-
84985609793
-
Strongly Basic, Pentacyclic "proton Sponges" with Vinamidine Structure
-
- 1167
-
Swchwesinger, R.; Missfeldt, M.; Peters, K.; Bonschnering, H.; Novel, Very Strongly Basic, Pentacyclic "Proton Sponges" With Vinamidine Structure Angew. Chem., Int. Ed. 1987, 26, 1165-1167
-
(1987)
Angew. Chem., Int. Ed.
, vol.26
, pp. 1165
-
-
Swchwesinger, R.1
Missfeldt, M.2
Peters, K.3
Bonschnering, H.4
Novel, V.5
-
5
-
-
0000393274
-
Atranes: New Examples with Unexpected Properties
-
- 489
-
Verkade, J. Atranes: New Examples With Unexpected Properties Acc. Chem. Res. 1993, 26, 483-489
-
(1993)
Acc. Chem. Res.
, vol.26
, pp. 483
-
-
Verkade, J.1
-
6
-
-
0347365961
-
Main Group Atranes: Chemical and Structural Features
-
- 295
-
Verkade, J. Main Group Atranes: Chemical and Structural Features Coord. Chem. Rev. 1994, 137, 233-295
-
(1994)
Coord. Chem. Rev.
, vol.137
, pp. 233
-
-
Verkade, J.1
-
7
-
-
0034640206
-
Proton Transfer Reactions Across Bacteriorhodopsin and Along the Membrane
-
- 147
-
Heberle, J. Proton Transfer Reactions Across Bacteriorhodopsin and Along the Membrane Biochim. Biophys. Acta 2000, 1458, 135-147
-
(2000)
Biochim. Biophys. Acta
, vol.1458
, pp. 135
-
-
Heberle, J.1
-
8
-
-
84857922834
-
Expanding the View of Proton Pumping in Cytochrome C Oxidase Through Computer simulation
-
- 525
-
Peng, Y.; Voth, G. Expanding the View of Proton Pumping in Cytochrome C Oxidase Through Computer simulation Biochim. Biophys. Acta 2012, 1817, 518-525
-
(2012)
Biochim. Biophys. Acta
, vol.1817
, pp. 518
-
-
Peng, Y.1
Voth, G.2
-
9
-
-
33748294318
-
Anhydrous Polymeric Proton Conductors Based on Imidazole Functionalized Polysiloxane
-
- 250
-
Scharfenberger, G.; Meyer, W.; Wegner, G.; Schuster, M.; Kreuer, K.; Maier, J. Anhydrous Polymeric Proton Conductors Based on Imidazole Functionalized Polysiloxane Fuel Cells 2006, 237-250
-
(2006)
Fuel Cells
, pp. 237
-
-
Scharfenberger, G.1
Meyer, W.2
Wegner, G.3
Schuster, M.4
Kreuer, K.5
Maier, J.6
-
10
-
-
0038039446
-
New Fully Polymeric Proton Solvents with High Proton Mobility
-
- 2171
-
Herz, H.; Kreuer, K.; Maier, J.; Scharfenberger, G.; Schuster, M.; Meyer, W. New Fully Polymeric Proton Solvents With High Proton Mobility Electrochim. Acta 2003, 48, 2165-2171
-
(2003)
Electrochim. Acta
, vol.48
, pp. 2165
-
-
Herz, H.1
Kreuer, K.2
Maier, J.3
Scharfenberger, G.4
Schuster, M.5
Meyer, W.6
-
11
-
-
36949019749
-
Water-Free Proton-Conduction Polysiloxanes: A Study on the Effect of Heterocycle Structure
-
- 8713
-
Granados-Focil, S.; Woudenberg, R.; Yavuzcetin, O.; Tuominen, M.; Coughlin, E. Water-Free Proton-Conduction Polysiloxanes: A Study on the Effect of Heterocycle Structure Macromolecules 2007, 40, 8708-8713
-
(2007)
Macromolecules
, vol.40
, pp. 8708
-
-
Granados-Focil, S.1
Woudenberg, R.2
Yavuzcetin, O.3
Tuominen, M.4
Coughlin, E.5
-
12
-
-
7544235790
-
Transport in Proton Conductors for Fuel-Cell Applications: Simulations, Elementary Reactions, and Phenomenology
-
- 4678
-
Kreuer, K.; Paddison, S.; Spohr, E.; Schuster, M. Transport in Proton Conductors for Fuel-Cell Applications: Simulations, Elementary Reactions, and Phenomenology Chem. Rev. 2004, 104, 4637-4678
-
(2004)
Chem. Rev.
, vol.104
, pp. 4637
-
-
Kreuer, K.1
Paddison, S.2
Spohr, E.3
Schuster, M.4
-
14
-
-
77956895746
-
Preconditioning Immobilized Imidazole Arrays for Optimal Proton-Transfer Feasibility
-
- 104709
-
Cavalcanti, W.; Portaluppi, D.; Joswig, J.-O. Preconditioning Immobilized Imidazole Arrays for Optimal Proton-Transfer Feasibility J. Chem. Phys. 2010, 133, 104703-104709
-
(2010)
J. Chem. Phys.
, vol.133
, pp. 104703
-
-
Cavalcanti, W.1
Portaluppi, D.2
Joswig, J.-O.3
-
15
-
-
47749121057
-
Molecular Dynamics Simulations of Heptyl Phosphonic Acid: A Potential Polymer Component for Fuel Cell Polymer Membrane
-
- 7409
-
Roy, S.; Ataol, T.; Müller-Plathe, F. Molecular Dynamics Simulations of Heptyl Phosphonic Acid: A Potential Polymer Component for Fuel Cell Polymer Membrane J. Phys. Chem. B 2008, 112, 7403-7409
-
(2008)
J. Phys. Chem. B
, vol.112
, pp. 7403
-
-
Roy, S.1
Ataol, T.2
Müller-Plathe, F.3
-
16
-
-
0035546201
-
The Diffusion Mechanism of an Excess Proton in Imidazole Molecular Chains: First Results of an Ab initio Molecular Dynamics Study
-
- 443
-
Münch, W.; Kreuer, K.; Silvestri, W.; Maier, J.; Seifert, G. The Diffusion Mechanism of an Excess Proton in Imidazole Molecular Chains: First Results of an Ab initio Molecular Dynamics Study Solid State Ionics 2001, 145, 437-443
-
(2001)
Solid State Ionics
, vol.145
, pp. 437
-
-
Münch, W.1
Kreuer, K.2
Silvestri, W.3
Maier, J.4
Seifert, G.5
-
17
-
-
4043085444
-
Proton Transfer in Heterocycle Crystals
-
- 4
-
Iannuzzi, M.; Parrinello, M. Proton Transfer in Heterocycle Crystals Phys. Rev. Lett. 2004, 93, 1-4
-
(2004)
Phys. Rev. Lett.
, vol.93
, pp. 1
-
-
Iannuzzi, M.1
Parrinello, M.2
-
18
-
-
67650079297
-
1H Solid-State NMR Investigation of Structure and Dynamics of Anhydrous Proton Conducting Triazole-Functionalized Siloxane Polymers
-
- 9160
-
1H Solid-State NMR Investigation of Structure and Dynamics of Anhydrous Proton Conducting Triazole-Functionalized Siloxane Polymers J. Phys. Chem. B 2009, 113, 9151-9160
-
(2009)
J. Phys. Chem. B
, vol.113
, pp. 9151
-
-
Akbey, U.1
Granados-Focil, S.2
Coughlin, E.3
Graf, R.4
Spiess, H.5
-
19
-
-
34548676167
-
Intrinsically Conducting Polymers and Copolymers Containing Triazole Moieties
-
- 1403
-
Martwiset, S.; Woudenberg, R.; Granados-Focil, S.; Yavuzcetin, O.; Tuominen, M.; Coughlin, E. Intrinsically Conducting Polymers and Copolymers Containing Triazole Moieties Solid State Ionics 2007, 178, 1398-1403
-
(2007)
Solid State Ionics
, vol.178
, pp. 1398
-
-
Martwiset, S.1
Woudenberg, R.2
Granados-Focil, S.3
Yavuzcetin, O.4
Tuominen, M.5
Coughlin, E.6
-
20
-
-
77950801145
-
Proton Conduction in 1H-1,2,3-Triazole Polymers: Imidazole-Like of Pyrazole-Like
-
- 1858
-
Nagamani, C.; Versek, C.; Thorn, M.; Tuominen, M.; Thayumanavan, S. Proton Conduction in 1H-1,2,3-Triazole Polymers: Imidazole-Like of Pyrazole-Like J. Polym. Sci. 2010, 48, 1851-1858
-
(2010)
J. Polym. Sci.
, vol.48
, pp. 1851
-
-
Nagamani, C.1
Versek, C.2
Thorn, M.3
Tuominen, M.4
Thayumanavan, S.5
-
21
-
-
79958004256
-
Importance of Dynamic Hydrogen Bonds and Reorientation Barriers in Proton Transport
-
- 6640
-
Nagamani, C.; Viswanathan, U.; Versek, C.; Tuominen, M.; Auerbach, S.; Thyumanavan, S. Importance of Dynamic Hydrogen Bonds and Reorientation Barriers in Proton Transport Chem. Commun. 2011, 47, 6638-6640
-
(2011)
Chem. Commun.
, vol.47
, pp. 6638
-
-
Nagamani, C.1
Viswanathan, U.2
Versek, C.3
Tuominen, M.4
Auerbach, S.5
Thyumanavan, S.6
-
22
-
-
0035546190
-
Proton Mobility in Oligomer-Bound Proton Solvents: Imidazole Immobilization via Flexible Spaces
-
- 92
-
Schuster, M.; Meyer, W.; Wegner, G.; Herz, H.; Ise, M.; Schuster, M.; Kreuer, K.; Maier, J. Proton Mobility in Oligomer-Bound Proton Solvents: Imidazole Immobilization via Flexible Spaces Solid State Ionics 2001, 145, 85-92
-
(2001)
Solid State Ionics
, vol.145
, pp. 85
-
-
Schuster, M.1
Meyer, W.2
Wegner, G.3
Herz, H.4
Ise, M.5
Schuster, M.6
Kreuer, K.7
Maier, J.8
-
23
-
-
1642459889
-
Toward a New Type of Anhydrous Organic Proton Conductor Based on Immobilized Imidazole
-
- 337
-
Schuster, M.; Meyer, W.; Shuster, M.; Kreuer, K. Toward a New Type of Anhydrous Organic Proton Conductor Based on Immobilized Imidazole Chem. Mater. 2004, 16, 329-337
-
(2004)
Chem. Mater.
, vol.16
, pp. 329
-
-
Schuster, M.1
Meyer, W.2
Shuster, M.3
Kreuer, K.4
-
24
-
-
24344493992
-
About the Choice of the Protogenic Group in PEM Separator Materials for Intermediate Temperature, Low Humidity Operation: A Critical Comparison of Sulfonic Acid, Phosphonic Acid and Imidazole Functionalized Model Compounds
-
- 365
-
Schuster, M.; Rager, T.; Noda, A.; Kreuer, K.; Maier, J. About the Choice of the Protogenic Group in PEM Separator Materials for Intermediate Temperature, Low Humidity Operation: A Critical Comparison of Sulfonic Acid, Phosphonic Acid and Imidazole Functionalized Model Compounds Fuel Cells 2005, 5, 355-365
-
(2005)
Fuel Cells
, vol.5
, pp. 355
-
-
Schuster, M.1
Rager, T.2
Noda, A.3
Kreuer, K.4
Maier, J.5
-
25
-
-
34147119004
-
Intermediate Temperature Proton Conductors for PEM Fuel Cells Based on Phosphonic Acid as Protogenic Group: A Progress Report
-
- 1773
-
Steininger, H.; Schuster, M.; Kreuer, K.; Kaltbeitzel, A.; Bingöl, B.; Meyer, W.; Schauff, S.; Brunklaus, G.; Maier, J.; Spiess, H. Intermediate Temperature Proton Conductors for PEM Fuel Cells Based on Phosphonic Acid as Protogenic Group: A Progress Report Phys. Chem. Chem. Phys. 2007, 9, 1764-1773
-
(2007)
Phys. Chem. Chem. Phys.
, vol.9
, pp. 1764
-
-
Steininger, H.1
Schuster, M.2
Kreuer, K.3
Kaltbeitzel, A.4
Bingöl, B.5
Meyer, W.6
Schauff, S.7
Brunklaus, G.8
Maier, J.9
Spiess, H.10
-
26
-
-
33749817242
-
About the Choice of the Protogenic Group in Polymer Electrolyte Membranes: Ab initio Modelling of Sulfonic Acid, Phosphonic Acid, and Imidazole Functionalized Alkanes
-
- 4542
-
Paddison, S.; Kreuer, K.; Maier, J. About the Choice of the Protogenic Group in Polymer Electrolyte Membranes: Ab initio Modelling of Sulfonic Acid, Phosphonic Acid, and Imidazole Functionalized Alkanes Phys. Chem. Chem. Phys. 2006, 8, 4530-4542
-
(2006)
Phys. Chem. Chem. Phys.
, vol.8
, pp. 4530
-
-
Paddison, S.1
Kreuer, K.2
Maier, J.3
-
27
-
-
84861885598
-
Simulating Hydrogen-Bond Clustering and Phase Behaviour of Imidazole Oligomers
-
- 966
-
Harvey, J.; Basak, D.; Venkataraman, D.; Auerbach, S. Simulating Hydrogen-Bond Clustering and Phase Behaviour of Imidazole Oligomers Mol. Phys. 2012, 110, 957-966
-
(2012)
Mol. Phys.
, vol.110
, pp. 957
-
-
Harvey, J.1
Basak, D.2
Venkataraman, D.3
Auerbach, S.4
-
28
-
-
17444370931
-
Intrinsically Proton-Conducting Benzimidazole Units Tethered to Polysiloxanes
-
- 3289
-
Persson, J.; Jannasch, P. Intrinsically Proton-Conducting Benzimidazole Units Tethered to Polysiloxanes Macromolecules 2005, 38, 3283-3289
-
(2005)
Macromolecules
, vol.38
, pp. 3283
-
-
Persson, J.1
Jannasch, P.2
-
29
-
-
58149203388
-
Proton Conducting Polymers Containing 1H-1,2,3-Triazole Moieties
-
- 196
-
Martwiset, S.; Yavuzcetin, O.; Thorn, M.; Versek, C.; Tuominen, M.; Coughlin, E. Proton Conducting Polymers Containing 1H-1,2,3-Triazole Moieties J. Polym. Sci., Part A: Polym. Chem. 2009, 47, 188-196
-
(2009)
J. Polym. Sci., Part A: Polym. Chem.
, vol.47
, pp. 188
-
-
Martwiset, S.1
Yavuzcetin, O.2
Thorn, M.3
Versek, C.4
Tuominen, M.5
Coughlin, E.6
-
31
-
-
79957601638
-
Modeling Energy Landscapes of Proton Motion in Nonaqueous, Tethered Proton Wires
-
- 5434
-
Viswanathan, U.; Basak, D.; Venkataraman, D.; Fermann, J.; Auerbach, S. Modeling Energy Landscapes of Proton Motion in Nonaqueous, Tethered Proton Wires J. Phys. Chem. A 2011, 115, 5423-5434
-
(2011)
J. Phys. Chem. A
, vol.115
, pp. 5423
-
-
Viswanathan, U.1
Basak, D.2
Venkataraman, D.3
Fermann, J.4
Auerbach, S.5
-
32
-
-
2942532422
-
Development and Testing of a General Amber Force Field
-
- 1174
-
Wang, J.; Wolf, R.; Caldwell, J.; Kollman, P.; Case, D. Development and Testing of a General Amber Force Field J. Comput. Chem. 2004, 25, 1157-1174
-
(2004)
J. Comput. Chem.
, vol.25
, pp. 1157
-
-
Wang, J.1
Wolf, R.2
Caldwell, J.3
Kollman, P.4
Case, D.5
-
33
-
-
0030175155
-
DL-Poly-2.0: A General-Purpose Parallel Molecular Dynamics Simulation Package
-
- 141
-
Smith, W.; Forester, T. DL-Poly-2.0: A General-Purpose Parallel Molecular Dynamics Simulation Package J. Mol. Graphics 1996, 14, 136-141
-
(1996)
J. Mol. Graphics
, vol.14
, pp. 136
-
-
Smith, W.1
Forester, T.2
-
34
-
-
84986492477
-
Atomic Charges Derived from Semiempirical Methods
-
- 439
-
Besler, B.; Merz, K., Jr.; Kollman, P. Atomic Charges Derived From Semiempirical Methods J. Comput. Chem. 1990, 11, 431-439
-
(1990)
J. Comput. Chem.
, vol.11
, pp. 431
-
-
Besler, B.1
Merz, Jr.K.2
Kollman, P.3
-
35
-
-
84986468608
-
An Approach to Computing Electrostatic Charges for Molecules
-
- 145
-
Singh, U.; Kollman, P. An Approach to Computing Electrostatic Charges for Molecules J. Comput. Chem. 1984, 5, 129-145
-
(1984)
J. Comput. Chem.
, vol.5
, pp. 129
-
-
Singh, U.1
Kollman, P.2
-
36
-
-
70450206724
-
-
revision D.01; Gaussian, Inc. Wallingford, CT.
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Scalmani, G.; Barone, V.; Mennucci, B.; Petersson, G. A.; Gaussian 09, revision D.01; Gaussian, Inc.: Wallingford, CT, 2009.
-
(2009)
Gaussian 09
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Scalmani, G.7
Barone, V.8
Mennucci, B.9
Petersson, G.A.10
-
37
-
-
84925711387
-
Hoover NPT Dynamics for Systems Varying in Shape
-
- 544
-
Melchionna, S.; Ciccotti, G.; Holian, B. Hoover NPT Dynamics for Systems Varying in Shape Mol. Phys. 1993, 78, 533-544
-
(1993)
Mol. Phys.
, vol.78
, pp. 533
-
-
Melchionna, S.1
Ciccotti, G.2
Holian, B.3
-
38
-
-
36549095839
-
Monte Carlo Calculations of Cluster Statistics in Continuum Models of Composite Morphology
-
- 1206
-
Sevick, E.; Monson, P.; Ottino, J. Monte Carlo Calculations of Cluster Statistics in Continuum Models of Composite Morphology J. Chem. Phys. 1988, 88, 1198-1206
-
(1988)
J. Chem. Phys.
, vol.88
, pp. 1198
-
-
Sevick, E.1
Monson, P.2
Ottino, J.3
-
39
-
-
80053322480
-
Multiscale Molecular Simulations of the Nanoscale Morphologies of P3HT:PCBM Blends for Bulk Heterojunction Organic Photovoltaic Cells
-
- 4132
-
Lee, C.; Pao, C.; Chu, C. Multiscale Molecular Simulations of the Nanoscale Morphologies of P3HT:PCBM Blends for Bulk Heterojunction Organic Photovoltaic Cells Energy Environ. Sci. 2011, 4, 4124-4132
-
(2011)
Energy Environ. Sci.
, vol.4
, pp. 4124
-
-
Lee, C.1
Pao, C.2
Chu, C.3
-
40
-
-
0037126465
-
Enhancing Proton Mobility in Polymer Electrolyte Membranes: Lessons from Molecular Dynamics Simulations
-
- 10569
-
Spohr, E.; Commer, P.; Kornyshev, A. Enhancing Proton Mobility in Polymer Electrolyte Membranes: Lessons From Molecular Dynamics Simulations J. Phys. Chem. B 2002, 106, 10560-10569
-
(2002)
J. Phys. Chem. B
, vol.106
, pp. 10560
-
-
Spohr, E.1
Commer, P.2
Kornyshev, A.3
-
42
-
-
40149096379
-
Mean Field Kinetic Theory for a Lattice Gas Model of Fluids Confined in Porous Materials
-
- 084710
-
Monson, P. Mean Field Kinetic Theory for a Lattice Gas Model of Fluids Confined in Porous Materials J. Chem. Phys. 2008, 128, 084701-084710
-
(2008)
J. Chem. Phys.
, vol.128
, pp. 084701
-
-
Monson, P.1
-
43
-
-
0032308452
-
Imidazole and Pyrazole-Based Proton Conducting Polymers and Liquids
-
Kreuer, K.; Fuchs, A.; Ise, M.; Spaeth, M.; Maier, J. Imidazole and Pyrazole-Based Proton Conducting Polymers and Liquids J. Electrochim. Acta 1998, 43, 1281-1288
-
(1998)
J. Electrochim. Acta
, vol.43
, pp. 1281-1288
-
-
Kreuer, K.1
Fuchs, A.2
Ise, M.3
Spaeth, M.4
Maier, J.5
|