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Ideal contribution to the macroscopic quasiequilibrium entropy of anisotropic fluids.

Physical review. E, Statistical, nonlinear, and soft matter physics

Ilg P, Hütter M, Kröger M.
PMID: 21797393
Phys Rev E Stat Nonlin Soft Matter Phys. 2011 Jun;83(6):061713. doi: 10.1103/PhysRevE.83.061713. Epub 2011 Jun 29.

The Landau-de Gennes free energy plays a central role in the macroscopic theory of anisotropic fluids. Here, the ideal, entropic contribution to this free energy-that is always present in these systems, irrespectively of the detailed form of interactions or...

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Ilg P, Hütter M, Kröger M. Ideal contribution to the macroscopic quasiequilibrium entropy of anisotropic fluids. Phys Rev E Stat Nonlin Soft Matter Phys. 2011;83(6):061713doi: 10.1103/PhysRevE.83.061713.
Ilg, P., Hütter, M., & Kröger, M. (2011). Ideal contribution to the macroscopic quasiequilibrium entropy of anisotropic fluids. Physical review. E, Statistical, nonlinear, and soft matter physics, 83(6), 061713. https://doi.org/10.1103/PhysRevE.83.061713
Ilg, Patrick, et al. "Ideal contribution to the macroscopic quasiequilibrium entropy of anisotropic fluids." Physical review. E, Statistical, nonlinear, and soft matter physics vol. 83,6 (2011): 061713. doi: https://doi.org/10.1103/PhysRevE.83.061713
Ilg P, Hütter M, Kröger M. Ideal contribution to the macroscopic quasiequilibrium entropy of anisotropic fluids. Phys Rev E Stat Nonlin Soft Matter Phys. 2011 Jun;83(6):061713. doi: 10.1103/PhysRevE.83.061713. Epub 2011 Jun 29. PMID: 21797393.
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Investigation of .

Chimia

Ding Y, Iannuzzi M, Hutter J.
PMID: 28982405
Chimia (Aarau). 2011 Apr 27;65(4):256-259. doi: 10.2533/chimia.2011.256.

No abstract available.

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Ding Y, Iannuzzi M, Hutter J. Investigation of . Chimia (Aarau). 2011;65(4):256-259doi: 10.2533/chimia.2011.256.
Ding, Y., Iannuzzi, M., & Hutter, J. (2011). Investigation of . Chimia, 65(4), 256-259. https://doi.org/10.2533/chimia.2011.256
Ding, Yun, et al. "Investigation of ." Chimia vol. 65,4 (2011): 256-259. doi: https://doi.org/10.2533/chimia.2011.256
Ding Y, Iannuzzi M, Hutter J. Investigation of . Chimia (Aarau). 2011 Apr 27;65(4):256-259. doi: 10.2533/chimia.2011.256. PMID: 28982405.
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Efficiency of the Switching Process in Organic Electrochemical Transistors.

ACS applied materials & interfaces

Hütter PC, Fian A, Gatterer K, Stadlober B.
PMID: 27191825
ACS Appl Mater Interfaces. 2016 Jun 08;8(22):14071-6. doi: 10.1021/acsami.6b02698. Epub 2016 May 26.

UNLABELLED: Entirely screen printed organic electrochemical transistors (OECTs) based on poly(3,4-ethylenedioxithiophene) poly(styrenesulfonate) (PEDOT: PSS) and a polymer electrolyte are investigated in view of a correlation between the electrical charge consumed during switching and the volume ofPEDOT: PSS in the...

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Hütter PC, Fian A, Gatterer K, et al. Efficiency of the Switching Process in Organic Electrochemical Transistors. ACS Appl Mater Interfaces. 2016;8(22):14071-6doi: 10.1021/acsami.6b02698.
Hütter, P. C., Fian, A., Gatterer, K., & Stadlober, B. (2016). Efficiency of the Switching Process in Organic Electrochemical Transistors. ACS applied materials & interfaces, 8(22), 14071-6. https://doi.org/10.1021/acsami.6b02698
Hütter, Philipp C, et al. "Efficiency of the Switching Process in Organic Electrochemical Transistors." ACS applied materials & interfaces vol. 8,22 (2016): 14071-6. doi: https://doi.org/10.1021/acsami.6b02698
Hütter PC, Fian A, Gatterer K, Stadlober B. Efficiency of the Switching Process in Organic Electrochemical Transistors. ACS Appl Mater Interfaces. 2016 Jun 08;8(22):14071-6. doi: 10.1021/acsami.6b02698. Epub 2016 May 26. PMID: 27191825.
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Mass density fluctuations in quantum and classical descriptions of liquid water.

The Journal of chemical physics

Galib M, Duignan TT, Misteli Y, Baer MD, Schenter GK, Hutter J, Mundy CJ.
PMID: 28668048
J Chem Phys. 2017 Jun 28;146(24):244501. doi: 10.1063/1.4986284.

First principles molecular dynamics simulation protocol is established using revised functional of Perdew-Burke-Ernzerhof (revPBE) in conjunction with Grimme's third generation of dispersion (D3) correction to describe the properties of water at ambient conditions. This study also demonstrates the consistency...

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Galib M, Duignan TT, Misteli Y, et al. Mass density fluctuations in quantum and classical descriptions of liquid water. J Chem Phys. 2017;146(24):244501doi: 10.1063/1.4986284.
Galib, M., Duignan, T. T., Misteli, Y., Baer, M. D., Schenter, G. K., Hutter, J., & Mundy, C. J. (2017). Mass density fluctuations in quantum and classical descriptions of liquid water. The Journal of chemical physics, 146(24), 244501. https://doi.org/10.1063/1.4986284
Galib, Mirza, et al. "Mass density fluctuations in quantum and classical descriptions of liquid water." The Journal of chemical physics vol. 146,24 (2017): 244501. doi: https://doi.org/10.1063/1.4986284
Galib M, Duignan TT, Misteli Y, Baer MD, Schenter GK, Hutter J, Mundy CJ. Mass density fluctuations in quantum and classical descriptions of liquid water. J Chem Phys. 2017 Jun 28;146(24):244501. doi: 10.1063/1.4986284. PMID: 28668048.
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Linear Scaling Self-Consistent Field Calculations with Millions of Atoms in the Condensed Phase.

Journal of chemical theory and computation

VandeVondele J, Borštnik U, Hutter J.
PMID: 26593003
J Chem Theory Comput. 2012 Oct 09;8(10):3565-73. doi: 10.1021/ct200897x. Epub 2012 Mar 14.

In this work, the applicability and performance of a linear scaling algorithm is investigated for three-dimensional condensed phase systems. A simple but robust approach based on the matrix sign function is employed together with a thresholding matrix multiplication that...

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VandeVondele J, Borštnik U, Hutter J. Linear Scaling Self-Consistent Field Calculations with Millions of Atoms in the Condensed Phase. J Chem Theory Comput. 2012;8(10):3565-73doi: 10.1021/ct200897x.
VandeVondele, J., Borštnik, U., & Hutter, J. (2012). Linear Scaling Self-Consistent Field Calculations with Millions of Atoms in the Condensed Phase. Journal of chemical theory and computation, 8(10), 3565-73. https://doi.org/10.1021/ct200897x
VandeVondele, Joost, et al. "Linear Scaling Self-Consistent Field Calculations with Millions of Atoms in the Condensed Phase." Journal of chemical theory and computation vol. 8,10 (2012): 3565-73. doi: https://doi.org/10.1021/ct200897x
VandeVondele J, Borštnik U, Hutter J. Linear Scaling Self-Consistent Field Calculations with Millions of Atoms in the Condensed Phase. J Chem Theory Comput. 2012 Oct 09;8(10):3565-73. doi: 10.1021/ct200897x. Epub 2012 Mar 14. PMID: 26593003.
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Simulation of Adsorption Processes at Metallic Interfaces: An Image Charge Augmented QM/MM Approach.

Journal of chemical theory and computation

Golze D, Iannuzzi M, Nguyen MT, Passerone D, Hutter J.
PMID: 26583423
J Chem Theory Comput. 2013 Nov 12;9(11):5086-97. doi: 10.1021/ct400698y. Epub 2013 Oct 11.

A novel method for including polarization effects within hybrid quantum mechanics/molecular mechanics (QM/MM) simulations of adsorbate-metal systems is presented. The interactions between adsorbate (QM) and metallic substrate (MM) are described at the MM level of theory. Induction effects are...

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Golze D, Iannuzzi M, Nguyen MT, et al. Simulation of Adsorption Processes at Metallic Interfaces: An Image Charge Augmented QM/MM Approach. J Chem Theory Comput. 2013;9(11):5086-97doi: 10.1021/ct400698y.
Golze, D., Iannuzzi, M., Nguyen, M. T., Passerone, D., & Hutter, J. (2013). Simulation of Adsorption Processes at Metallic Interfaces: An Image Charge Augmented QM/MM Approach. Journal of chemical theory and computation, 9(11), 5086-97. https://doi.org/10.1021/ct400698y
Golze, Dorothea, et al. "Simulation of Adsorption Processes at Metallic Interfaces: An Image Charge Augmented QM/MM Approach." Journal of chemical theory and computation vol. 9,11 (2013): 5086-97. doi: https://doi.org/10.1021/ct400698y
Golze D, Iannuzzi M, Nguyen MT, Passerone D, Hutter J. Simulation of Adsorption Processes at Metallic Interfaces: An Image Charge Augmented QM/MM Approach. J Chem Theory Comput. 2013 Nov 12;9(11):5086-97. doi: 10.1021/ct400698y. Epub 2013 Oct 11. PMID: 26583423.
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Second-Order Møller-Plesset Perturbation Theory in the Condensed Phase: An Efficient and Massively Parallel Gaussian and Plane Waves Approach.

Journal of chemical theory and computation

Del Ben M, Hutter J, VandeVondele J.
PMID: 26605583
J Chem Theory Comput. 2012 Nov 13;8(11):4177-88. doi: 10.1021/ct300531w. Epub 2012 Sep 24.

A novel algorithm, based on a hybrid Gaussian and plane waves (GPW) approach, is developed for the canonical second-order Møller-Plesset perturbation energy (MP2) of finite and extended systems. The key aspect of the method is that the electron repulsion...

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Del Ben M, Hutter J, VandeVondele J. Second-Order Møller-Plesset Perturbation Theory in the Condensed Phase: An Efficient and Massively Parallel Gaussian and Plane Waves Approach. J Chem Theory Comput. 2012;8(11):4177-88doi: 10.1021/ct300531w.
Del Ben, M., Hutter, J., & VandeVondele, J. (2012). Second-Order Møller-Plesset Perturbation Theory in the Condensed Phase: An Efficient and Massively Parallel Gaussian and Plane Waves Approach. Journal of chemical theory and computation, 8(11), 4177-88. https://doi.org/10.1021/ct300531w
Del Ben, Mauro, et al. "Second-Order Møller-Plesset Perturbation Theory in the Condensed Phase: An Efficient and Massively Parallel Gaussian and Plane Waves Approach." Journal of chemical theory and computation vol. 8,11 (2012): 4177-88. doi: https://doi.org/10.1021/ct300531w
Del Ben M, Hutter J, VandeVondele J. Second-Order Møller-Plesset Perturbation Theory in the Condensed Phase: An Efficient and Massively Parallel Gaussian and Plane Waves Approach. J Chem Theory Comput. 2012 Nov 13;8(11):4177-88. doi: 10.1021/ct300531w. Epub 2012 Sep 24. PMID: 26605583.
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A Scheme for the Evaluation of Electron Delocalization and Conjugation Efficiency in Linearly π-Conjugated Systems.

Journal of chemical theory and computation

Bruschi M, Limacher PA, Hutter J, Lüthi HP.
PMID: 26610218
J Chem Theory Comput. 2009 Mar 10;5(3):506-14. doi: 10.1021/ct8004358.

In this study, we present a scheme for the evaluation of electron delocalization and conjugation efficiency in lineraly π-conjugated systems. The scheme, based on the natural bond orbital theory, allows monitoring the evolution of electron delocalization along an extended...

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Bruschi M, Limacher PA, Hutter J, et al. A Scheme for the Evaluation of Electron Delocalization and Conjugation Efficiency in Linearly π-Conjugated Systems. J Chem Theory Comput. 2009;5(3):506-14doi: 10.1021/ct8004358.
Bruschi, M., Limacher, P. A., Hutter, J., & Lüthi, H. P. (2009). A Scheme for the Evaluation of Electron Delocalization and Conjugation Efficiency in Linearly π-Conjugated Systems. Journal of chemical theory and computation, 5(3), 506-14. https://doi.org/10.1021/ct8004358
Bruschi, Maurizio, et al. "A Scheme for the Evaluation of Electron Delocalization and Conjugation Efficiency in Linearly π-Conjugated Systems." Journal of chemical theory and computation vol. 5,3 (2009): 506-14. doi: https://doi.org/10.1021/ct8004358
Bruschi M, Limacher PA, Hutter J, Lüthi HP. A Scheme for the Evaluation of Electron Delocalization and Conjugation Efficiency in Linearly π-Conjugated Systems. J Chem Theory Comput. 2009 Mar 10;5(3):506-14. doi: 10.1021/ct8004358. PMID: 26610218.
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Post-Synthesis Amine Borane Functionalization of a Metal-Organic Framework and Its Unusual Chemical Hydrogen Release Phenomenon.

Chemistry (Weinheim an der Bergstrasse, Germany)

Barman S, Remhof A, Koitz R, Iannuzzi M, Blacque O, Yan Y, Fox T, Hutter J, Züttel A, Berke H.
PMID: 28493380
Chemistry. 2017 Jul 03;23(37):8823-8828. doi: 10.1002/chem.201702013. Epub 2017 Jun 13.

A novel strategy for post-synthesis amine borane functionalization of MOFs under gas-solid phase transformation, utilizing gaseous diborane, is reported. The covalently confined amine borane derivative decorated on the framework backbone is stable when preserved at low temperature, but spontaneously...

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Barman S, Remhof A, Koitz R, et al. Post-Synthesis Amine Borane Functionalization of a Metal-Organic Framework and Its Unusual Chemical Hydrogen Release Phenomenon. Chemistry. 2017;23(37):8823-8828doi: 10.1002/chem.201702013.
Barman, S., Remhof, A., Koitz, R., Iannuzzi, M., Blacque, O., Yan, Y., Fox, T., Hutter, J., Züttel, A., & Berke, H. (2017). Post-Synthesis Amine Borane Functionalization of a Metal-Organic Framework and Its Unusual Chemical Hydrogen Release Phenomenon. Chemistry (Weinheim an der Bergstrasse, Germany), 23(37), 8823-8828. https://doi.org/10.1002/chem.201702013
Barman, Samir, et al. "Post-Synthesis Amine Borane Functionalization of a Metal-Organic Framework and Its Unusual Chemical Hydrogen Release Phenomenon." Chemistry (Weinheim an der Bergstrasse, Germany) vol. 23,37 (2017): 8823-8828. doi: https://doi.org/10.1002/chem.201702013
Barman S, Remhof A, Koitz R, Iannuzzi M, Blacque O, Yan Y, Fox T, Hutter J, Züttel A, Berke H. Post-Synthesis Amine Borane Functionalization of a Metal-Organic Framework and Its Unusual Chemical Hydrogen Release Phenomenon. Chemistry. 2017 Jul 03;23(37):8823-8828. doi: 10.1002/chem.201702013. Epub 2017 Jun 13. PMID: 28493380.
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Dust and Cobalt Levels in the Austrian Tungsten Industry: Workplace and Human Biomonitoring Data.

International journal of environmental research and public health

Hutter HP, Wallner P, Moshammer H, Marsh G.
PMID: 27657104
Int J Environ Res Public Health. 2016 Sep 21;13(9). doi: 10.3390/ijerph13090931.

In general, routine industrial hygiene (IH) data are collected not to serve for scientific research but to check for compliance with occupational limit values. In the preparation of an occupational retrospective cohort study it is vital to test the...

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Hutter HP, Wallner P, Moshammer H, et al. Dust and Cobalt Levels in the Austrian Tungsten Industry: Workplace and Human Biomonitoring Data. Int J Environ Res Public Health. 2016;13(9)doi: 10.3390/ijerph13090931.
Hutter, H. P., Wallner, P., Moshammer, H., & Marsh, G. (2016). Dust and Cobalt Levels in the Austrian Tungsten Industry: Workplace and Human Biomonitoring Data. International journal of environmental research and public health, 13(9), . https://doi.org/10.3390/ijerph13090931
Hutter, Hans-Peter, et al. "Dust and Cobalt Levels in the Austrian Tungsten Industry: Workplace and Human Biomonitoring Data." International journal of environmental research and public health vol. 13,9 (2016). doi: https://doi.org/10.3390/ijerph13090931
Hutter HP, Wallner P, Moshammer H, Marsh G. Dust and Cobalt Levels in the Austrian Tungsten Industry: Workplace and Human Biomonitoring Data. Int J Environ Res Public Health. 2016 Sep 21;13(9). doi: 10.3390/ijerph13090931. PMID: 27657104; PMCID: PMC5036763.
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Corrigendum: Pharmacological inhibition of adipose triglyceride lipase corrects high-fat diet-induced insulin resistance and hepatosteatosis in mice.

Nature communications

Schweiger M, Romauch M, Schreiber R, Grabner GF, Hütter S, Kotzbeck P, Benedikt P, Eichmann TO, Yamada S, Knittelfelder O, Diwoky C, Doler C, Mayer N, De Cecco W, Breinbauer R, Zimmermann R, Zechner R.
PMID: 28440272
Nat Commun. 2017 Apr 25;8:15490. doi: 10.1038/ncomms15490.

No abstract available.

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Schweiger M, Romauch M, Schreiber R, et al. Corrigendum: Pharmacological inhibition of adipose triglyceride lipase corrects high-fat diet-induced insulin resistance and hepatosteatosis in mice. Nat Commun. 2017;8:15490doi: 10.1038/ncomms15490.
Schweiger, M., Romauch, M., Schreiber, R., Grabner, G. F., Hütter, S., Kotzbeck, P., Benedikt, P., Eichmann, T. O., Yamada, S., Knittelfelder, O., Diwoky, C., Doler, C., Mayer, N., De Cecco, W., Breinbauer, R., Zimmermann, R., & Zechner, R. (2017). Corrigendum: Pharmacological inhibition of adipose triglyceride lipase corrects high-fat diet-induced insulin resistance and hepatosteatosis in mice. Nature communications, 815490. https://doi.org/10.1038/ncomms15490
Schweiger, Martina, et al. "Corrigendum: Pharmacological inhibition of adipose triglyceride lipase corrects high-fat diet-induced insulin resistance and hepatosteatosis in mice." Nature communications vol. 8 (2017): 15490. doi: https://doi.org/10.1038/ncomms15490
Schweiger M, Romauch M, Schreiber R, Grabner GF, Hütter S, Kotzbeck P, Benedikt P, Eichmann TO, Yamada S, Knittelfelder O, Diwoky C, Doler C, Mayer N, De Cecco W, Breinbauer R, Zimmermann R, Zechner R. Corrigendum: Pharmacological inhibition of adipose triglyceride lipase corrects high-fat diet-induced insulin resistance and hepatosteatosis in mice. Nat Commun. 2017 Apr 25;8:15490. doi: 10.1038/ncomms15490. PMID: 28440272; PMCID: PMC5414042.
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Control of molecular organization and energy level alignment by an electronically nanopatterned boron nitride template.

ACS nano

Joshi S, Bischoff F, Koitz R, Ecija D, Seufert K, Seitsonen AP, Hutter J, Diller K, Urgel JI, Sachdev H, Barth JV, Auwärter W.
PMID: 24328081
ACS Nano. 2014 Jan 28;8(1):430-42. doi: 10.1021/nn406024m. Epub 2013 Dec 11.

Suitable templates to steer the formation of nanostructure arrays on surfaces are indispensable in nanoscience. Recently, atomically thin sp(2)-bonded layers such as graphene or boron nitride (BN) grown on metal supports have attracted considerable interest due to their potential...

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Joshi S, Bischoff F, Koitz R, et al. Control of molecular organization and energy level alignment by an electronically nanopatterned boron nitride template. ACS Nano. 2013;8(1):430-42doi: 10.1021/nn406024m.
Joshi, S., Bischoff, F., Koitz, R., Ecija, D., Seufert, K., Seitsonen, A. P., Hutter, J., Diller, K., Urgel, J. I., Sachdev, H., Barth, J. V., & Auwärter, W. (2014). Control of molecular organization and energy level alignment by an electronically nanopatterned boron nitride template. ACS nano, 8(1), 430-42. https://doi.org/10.1021/nn406024m
Joshi, Sushobhan, et al. "Control of molecular organization and energy level alignment by an electronically nanopatterned boron nitride template." ACS nano vol. 8,1 (2014): 430-42. doi: https://doi.org/10.1021/nn406024m
Joshi S, Bischoff F, Koitz R, Ecija D, Seufert K, Seitsonen AP, Hutter J, Diller K, Urgel JI, Sachdev H, Barth JV, Auwärter W. Control of molecular organization and energy level alignment by an electronically nanopatterned boron nitride template. ACS Nano. 2014 Jan 28;8(1):430-42. doi: 10.1021/nn406024m. Epub 2013 Dec 11. PMID: 24328081.
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Showing 1 to 12 of 256 entries