Advanced Search
Display options
Filter resources
Text Availability
Article type
Publication date
Species
Language
Sex
Age
Showing 1 to 12 of 79 entries
Sorted by: Best Match Show Resources per page
Implementation of density functional embedding theory within the projector-augmented-wave method and applications to semiconductor defect states.

The Journal of chemical physics

Yu K, Libisch F, Carter EA.
PMID: 26373999
J Chem Phys. 2015 Sep 14;143(10):102806. doi: 10.1063/1.4922260.

We report a new implementation of the density functional embedding theory (DFET) in the VASP code, using the projector-augmented-wave (PAW) formalism. Newly developed algorithms allow us to efficiently perform optimized effective potential optimizations within PAW. The new algorithm generates...

Cite
Yu K, Libisch F, Carter EA. Implementation of density functional embedding theory within the projector-augmented-wave method and applications to semiconductor defect states. J Chem Phys. 2015;143(10):102806doi: 10.1063/1.4922260.
Yu, K., Libisch, F., & Carter, E. A. (2015). Implementation of density functional embedding theory within the projector-augmented-wave method and applications to semiconductor defect states. The Journal of chemical physics, 143(10), 102806. https://doi.org/10.1063/1.4922260
Yu, Kuang, et al. "Implementation of density functional embedding theory within the projector-augmented-wave method and applications to semiconductor defect states." The Journal of chemical physics vol. 143,10 (2015): 102806. doi: https://doi.org/10.1063/1.4922260
Yu K, Libisch F, Carter EA. Implementation of density functional embedding theory within the projector-augmented-wave method and applications to semiconductor defect states. J Chem Phys. 2015 Sep 14;143(10):102806. doi: 10.1063/1.4922260. PMID: 26373999.
Copy Download .nbib Format: NLM
Size-extensivity-corrected multireference configuration interaction schemes to accurately predict bond dissociation energies of oxygenated hydrocarbons.

The Journal of chemical physics

Oyeyemi VB, Krisiloff DB, Keith JA, Libisch F, Pavone M, Carter EA.
PMID: 25669533
J Chem Phys. 2014 Jan 28;140(4):044317. doi: 10.1063/1.4862159.

Oxygenated hydrocarbons play important roles in combustion science as renewable fuels and additives, but many details about their combustion chemistry remain poorly understood. Although many methods exist for computing accurate electronic energies of molecules at equilibrium geometries, a consistent...

Cite
Oyeyemi VB, Krisiloff DB, Keith JA, et al. Size-extensivity-corrected multireference configuration interaction schemes to accurately predict bond dissociation energies of oxygenated hydrocarbons. J Chem Phys. 2014;140(4):044317doi: 10.1063/1.4862159.
Oyeyemi, V. B., Krisiloff, D. B., Keith, J. A., Libisch, F., Pavone, M., & Carter, E. A. (2014). Size-extensivity-corrected multireference configuration interaction schemes to accurately predict bond dissociation energies of oxygenated hydrocarbons. The Journal of chemical physics, 140(4), 044317. https://doi.org/10.1063/1.4862159
Oyeyemi, Victor B, et al. "Size-extensivity-corrected multireference configuration interaction schemes to accurately predict bond dissociation energies of oxygenated hydrocarbons." The Journal of chemical physics vol. 140,4 (2014): 044317. doi: https://doi.org/10.1063/1.4862159
Oyeyemi VB, Krisiloff DB, Keith JA, Libisch F, Pavone M, Carter EA. Size-extensivity-corrected multireference configuration interaction schemes to accurately predict bond dissociation energies of oxygenated hydrocarbons. J Chem Phys. 2014 Jan 28;140(4):044317. doi: 10.1063/1.4862159. PMID: 25669533.
Copy Download .nbib Format: NLM
Cryptosporidium antibodies in manitoba cattle: a pilot study using an indirect fluorescent antibody procedure.

The Canadian veterinary journal = La revue veterinaire canadienne

Mann ED, Sekla LH, Eibisch G.
PMID: 17422744
Can Vet J. 1987 Mar;28(3):126-8.

An indirect fluorescent antibody test, using feces-derived oocysts as antigen, was used to detect antibodies to Cryptosporidium spp. in bovine sera in Manitoba. Antibodies were detected in 29 of 50 (58%) sera collected from animals of various ages on...

Cite
Mann ED, Sekla LH, Eibisch G. Cryptosporidium antibodies in manitoba cattle: a pilot study using an indirect fluorescent antibody procedure. Can Vet J. 1987;28(3):126-8
Mann, E. D., Sekla, L. H., & Eibisch, G. (1987). Cryptosporidium antibodies in manitoba cattle: a pilot study using an indirect fluorescent antibody procedure. The Canadian veterinary journal = La revue veterinaire canadienne, 28(3), 126-8.
Mann, E D, et al. "Cryptosporidium antibodies in manitoba cattle: a pilot study using an indirect fluorescent antibody procedure." The Canadian veterinary journal = La revue veterinaire canadienne vol. 28,3 (1987): 126-8.
Mann ED, Sekla LH, Eibisch G. Cryptosporidium antibodies in manitoba cattle: a pilot study using an indirect fluorescent antibody procedure. Can Vet J. 1987 Mar;28(3):126-8. PMID: 17422744; PMCID: PMC1680357.
Copy Download .nbib Format: NLM
Tunable Fano resonances in transport through microwave billiards.

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

Rotter S, Libisch F, Burgdörfer J, Kuhl U, Stöckmann HJ.
PMID: 15169091
Phys Rev E Stat Nonlin Soft Matter Phys. 2004 Apr;69(4):046208. doi: 10.1103/PhysRevE.69.046208. Epub 2004 Apr 30.

We present a tunable microwave scattering device that allows the controlled variation of Fano line shape parameters in transmission through quantum billiards. Transport in this device is nearly fully coherent. By comparison with quantum calculations, employing the modular recursive...

Cite
Rotter S, Libisch F, Burgdörfer J, et al. Tunable Fano resonances in transport through microwave billiards. Phys Rev E Stat Nonlin Soft Matter Phys. 2004;69(4):046208doi: 10.1103/PhysRevE.69.046208.
Rotter, S., Libisch, F., Burgdörfer, J., Kuhl, U., & Stöckmann, H. J. (2004). Tunable Fano resonances in transport through microwave billiards. Physical review. E, Statistical, nonlinear, and soft matter physics, 69(4), 046208. https://doi.org/10.1103/PhysRevE.69.046208
Rotter, S, et al. "Tunable Fano resonances in transport through microwave billiards." Physical review. E, Statistical, nonlinear, and soft matter physics vol. 69,4 (2004): 046208. doi: https://doi.org/10.1103/PhysRevE.69.046208
Rotter S, Libisch F, Burgdörfer J, Kuhl U, Stöckmann HJ. Tunable Fano resonances in transport through microwave billiards. Phys Rev E Stat Nonlin Soft Matter Phys. 2004 Apr;69(4):046208. doi: 10.1103/PhysRevE.69.046208. Epub 2004 Apr 30. PMID: 15169091.
Copy Download .nbib Format: NLM
The multiradical character of one- and two-dimensional graphene nanoribbons.

Angewandte Chemie (International ed. in English)

Plasser F, Pašalić H, Gerzabek MH, Libisch F, Reiter R, Burgdörfer J, Müller T, Shepard R, Lischka H.
PMID: 23355507
Angew Chem Int Ed Engl. 2013 Feb 25;52(9):2581-4. doi: 10.1002/anie.201207671. Epub 2013 Jan 28.

When is an acene stable? The pronounced multiradical character of graphene nanoribbons of different size and shape was investigated with high-level multireference methods. Quantitative information based on the number of effectively unpaired electrons leads to specific estimates of the...

Cite
Plasser F, Pašalić H, Gerzabek MH, et al. The multiradical character of one- and two-dimensional graphene nanoribbons. Angew Chem Int Ed Engl. 2013;52(9):2581-4doi: 10.1002/anie.201207671.
Plasser, F., Pašalić, H., Gerzabek, M. H., Libisch, F., Reiter, R., Burgdörfer, J., Müller, T., Shepard, R., & Lischka, H. (2013). The multiradical character of one- and two-dimensional graphene nanoribbons. Angewandte Chemie (International ed. in English), 52(9), 2581-4. https://doi.org/10.1002/anie.201207671
Plasser, Felix, et al. "The multiradical character of one- and two-dimensional graphene nanoribbons." Angewandte Chemie (International ed. in English) vol. 52,9 (2013): 2581-4. doi: https://doi.org/10.1002/anie.201207671
Plasser F, Pašalić H, Gerzabek MH, Libisch F, Reiter R, Burgdörfer J, Müller T, Shepard R, Lischka H. The multiradical character of one- and two-dimensional graphene nanoribbons. Angew Chem Int Ed Engl. 2013 Feb 25;52(9):2581-4. doi: 10.1002/anie.201207671. Epub 2013 Jan 28. PMID: 23355507; PMCID: PMC3648980.
Copy Download .nbib Format: NLM
Mechanism of single-shot damage of Ru thin films irradiated by femtosecond extreme UV free-electron laser.

Optics express

Milov I, Makhotkin IA, Sobierajski R, Medvedev N, Lipp V, Chalupský J, Sturm JM, Tiedtke K, de Vries G, Störmer M, Siewert F, van de Kruijs R, Louis E, Jacyna I, Jurek M, Juha L, Hájková V, Vozda V, Burian T, Saksl K, Faatz B, Keitel B, Plönjes E, Schreiber S, Toleikis S, Loch R, Hermann M, Strobel S, Nienhuys HK, Gwalt G, Mey T, Enkisch H, Bijkerk F.
PMID: 30114137
Opt Express. 2018 Jul 23;26(15):19665-19685. doi: 10.1364/OE.26.019665.

Ruthenium is a perspective material to be used for XUV mirrors at free-electron laser facilities. Yet, it is still poorly studied in the context of ultrafast laser-matter interaction. In this work, we present single-shot damage studies of thin Ru...

Cite
Milov I, Makhotkin IA, Sobierajski R, et al. Mechanism of single-shot damage of Ru thin films irradiated by femtosecond extreme UV free-electron laser. Opt Express. 2018;26(15):19665-19685doi: 10.1364/OE.26.019665.
Milov, I., Makhotkin, I. A., Sobierajski, R., Medvedev, N., Lipp, V., Chalupský, J., Sturm, J. M., Tiedtke, K., de Vries, G., Störmer, M., Siewert, F., van de Kruijs, R., Louis, E., Jacyna, I., Jurek, M., Juha, L., Hájková, V., Vozda, V., Burian, T., Saksl, K., Faatz, B., Keitel, B., Plönjes, E., Schreiber, S., Toleikis, S., Loch, R., Hermann, M., Strobel, S., Nienhuys, H. K., Gwalt, G., Mey, T., Enkisch, H., & Bijkerk, F. (2018). Mechanism of single-shot damage of Ru thin films irradiated by femtosecond extreme UV free-electron laser. Optics express, 26(15), 19665-19685. https://doi.org/10.1364/OE.26.019665
Milov, Igor, et al. "Mechanism of single-shot damage of Ru thin films irradiated by femtosecond extreme UV free-electron laser." Optics express vol. 26,15 (2018): 19665-19685. doi: https://doi.org/10.1364/OE.26.019665
Milov I, Makhotkin IA, Sobierajski R, Medvedev N, Lipp V, Chalupský J, Sturm JM, Tiedtke K, de Vries G, Störmer M, Siewert F, van de Kruijs R, Louis E, Jacyna I, Jurek M, Juha L, Hájková V, Vozda V, Burian T, Saksl K, Faatz B, Keitel B, Plönjes E, Schreiber S, Toleikis S, Loch R, Hermann M, Strobel S, Nienhuys HK, Gwalt G, Mey T, Enkisch H, Bijkerk F. Mechanism of single-shot damage of Ru thin films irradiated by femtosecond extreme UV free-electron laser. Opt Express. 2018 Jul 23;26(15):19665-19685. doi: 10.1364/OE.26.019665. PMID: 30114137.
Copy Download .nbib Format: NLM
Potential Functional Embedding Theory at the Correlated Wave Function Level. 2. Error Sources and Performance Tests.

Journal of chemical theory and computation

Cheng J, Yu K, Libisch F, Dieterich JM, Carter EA.
PMID: 28125226
J Chem Theory Comput. 2017 Mar 14;13(3):1081-1093. doi: 10.1021/acs.jctc.6b01011. Epub 2017 Feb 13.

Quantum mechanical embedding theories partition a complex system into multiple spatial regions that can use different electronic structure methods within each, to optimize trade-offs between accuracy and cost. The present work incorporates accurate but expensive correlated wave function (CW)...

Cite
Cheng J, Yu K, Libisch F, et al. Potential Functional Embedding Theory at the Correlated Wave Function Level. 2. Error Sources and Performance Tests. J Chem Theory Comput. 2017;13(3):1081-1093doi: 10.1021/acs.jctc.6b01011.
Cheng, J., Yu, K., Libisch, F., Dieterich, J. M., & Carter, E. A. (2017). Potential Functional Embedding Theory at the Correlated Wave Function Level. 2. Error Sources and Performance Tests. Journal of chemical theory and computation, 13(3), 1081-1093. https://doi.org/10.1021/acs.jctc.6b01011
Cheng, Jin, et al. "Potential Functional Embedding Theory at the Correlated Wave Function Level. 2. Error Sources and Performance Tests." Journal of chemical theory and computation vol. 13,3 (2017): 1081-1093. doi: https://doi.org/10.1021/acs.jctc.6b01011
Cheng J, Yu K, Libisch F, Dieterich JM, Carter EA. Potential Functional Embedding Theory at the Correlated Wave Function Level. 2. Error Sources and Performance Tests. J Chem Theory Comput. 2017 Mar 14;13(3):1081-1093. doi: 10.1021/acs.jctc.6b01011. Epub 2017 Feb 13. PMID: 28125226.
Copy Download .nbib Format: NLM
Potential Functional Embedding Theory at the Correlated Wave Function Level. 1. Mixed Basis Set Embedding.

Journal of chemical theory and computation

Cheng J, Libisch F, Yu K, Chen M, Dieterich JM, Carter EA.
PMID: 28125228
J Chem Theory Comput. 2017 Mar 14;13(3):1067-1080. doi: 10.1021/acs.jctc.6b01010. Epub 2017 Feb 13.

Embedding theories offer an elegant solution to overcome intrinsic algorithmic scaling and accuracy limitations of simulation methods. These theories also promise to achieve the accuracy of high-level electronic structure techniques at near the computational cost of much less accurate...

Cite
Cheng J, Libisch F, Yu K, et al. Potential Functional Embedding Theory at the Correlated Wave Function Level. 1. Mixed Basis Set Embedding. J Chem Theory Comput. 2017;13(3):1067-1080doi: 10.1021/acs.jctc.6b01010.
Cheng, J., Libisch, F., Yu, K., Chen, M., Dieterich, J. M., & Carter, E. A. (2017). Potential Functional Embedding Theory at the Correlated Wave Function Level. 1. Mixed Basis Set Embedding. Journal of chemical theory and computation, 13(3), 1067-1080. https://doi.org/10.1021/acs.jctc.6b01010
Cheng, Jin, et al. "Potential Functional Embedding Theory at the Correlated Wave Function Level. 1. Mixed Basis Set Embedding." Journal of chemical theory and computation vol. 13,3 (2017): 1067-1080. doi: https://doi.org/10.1021/acs.jctc.6b01010
Cheng J, Libisch F, Yu K, Chen M, Dieterich JM, Carter EA. Potential Functional Embedding Theory at the Correlated Wave Function Level. 1. Mixed Basis Set Embedding. J Chem Theory Comput. 2017 Mar 14;13(3):1067-1080. doi: 10.1021/acs.jctc.6b01010. Epub 2017 Feb 13. PMID: 28125228.
Copy Download .nbib Format: NLM
Metagenomic Analysis of Acquired Antibiotic Resistance Determinants in the Gut Microbiota of Wild Boars .

Journal of veterinary research

Libisch B, Keresztény T, Kerényi Z, Kocsis R, Sipos R, Papp PP, Olasz F.
PMID: 32258807
J Vet Res. 2020 Feb 29;64(1):111-118. doi: 10.2478/jvetres-2020-0015. eCollection 2020 Mar.

INTRODUCTION: Land application of manure that contains antibiotics and resistant bacteria may facilitate the establishment of an environmental reservoir of antibiotic-resistant microbes, promoting their dissemination into agricultural and natural habitats. The main objective of this study was to search...

Cite
Libisch B, Keresztény T, Kerényi Z, et al. Metagenomic Analysis of Acquired Antibiotic Resistance Determinants in the Gut Microbiota of Wild Boars . J Vet Res. 2020;64(1):111-118doi: 10.2478/jvetres-2020-0015.
Libisch, B., Keresztény, T., Kerényi, Z., Kocsis, R., Sipos, R., Papp, P. P., & Olasz, F. (2020). Metagenomic Analysis of Acquired Antibiotic Resistance Determinants in the Gut Microbiota of Wild Boars . Journal of veterinary research, 64(1), 111-118. https://doi.org/10.2478/jvetres-2020-0015
Libisch, Balázs, et al. "Metagenomic Analysis of Acquired Antibiotic Resistance Determinants in the Gut Microbiota of Wild Boars ." Journal of veterinary research vol. 64,1 (2020): 111-118. doi: https://doi.org/10.2478/jvetres-2020-0015
Libisch B, Keresztény T, Kerényi Z, Kocsis R, Sipos R, Papp PP, Olasz F. Metagenomic Analysis of Acquired Antibiotic Resistance Determinants in the Gut Microbiota of Wild Boars . J Vet Res. 2020 Feb 29;64(1):111-118. doi: 10.2478/jvetres-2020-0015. eCollection 2020 Mar. PMID: 32258807; PMCID: PMC7105989.
Copy Download .nbib Format: NLM
Adjuvant Hysterectomy for Cervical Cancer Patients Treated with Chemoradiation Therapy: A Systematic Review on the Pathology-Proven Residual Disease Rate.

Cancers

van Kol K, Ebisch R, Piek J, Beugeling M, Vergeldt T, Bekkers R.
PMID: 34944810
Cancers (Basel). 2021 Dec 08;13(24). doi: 10.3390/cancers13246190.

OBJECTIVE: To determine the incidence of pathology-proven residual disease in adjuvant hysterectomy specimens in patients with cervical cancer, treated with chemoradiation therapy. Secondly, to assess a possible association for pathology-proven residual disease regarding the time between chemoradiation therapy and...

Cite
van Kol K, Ebisch R, Piek J, et al. Adjuvant Hysterectomy for Cervical Cancer Patients Treated with Chemoradiation Therapy: A Systematic Review on the Pathology-Proven Residual Disease Rate. Cancers (Basel). 2021;13(24)doi: 10.3390/cancers13246190.
van Kol, K., Ebisch, R., Piek, J., Beugeling, M., Vergeldt, T., & Bekkers, R. (2021). Adjuvant Hysterectomy for Cervical Cancer Patients Treated with Chemoradiation Therapy: A Systematic Review on the Pathology-Proven Residual Disease Rate. Cancers, 13(24), . https://doi.org/10.3390/cancers13246190
van Kol, Kim, et al. "Adjuvant Hysterectomy for Cervical Cancer Patients Treated with Chemoradiation Therapy: A Systematic Review on the Pathology-Proven Residual Disease Rate." Cancers vol. 13,24 (2021). doi: https://doi.org/10.3390/cancers13246190
van Kol K, Ebisch R, Piek J, Beugeling M, Vergeldt T, Bekkers R. Adjuvant Hysterectomy for Cervical Cancer Patients Treated with Chemoradiation Therapy: A Systematic Review on the Pathology-Proven Residual Disease Rate. Cancers (Basel). 2021 Dec 08;13(24). doi: 10.3390/cancers13246190. PMID: 34944810.
Copy Download .nbib Format: NLM
Secondary Electron Emission by Plasmon-Induced Symmetry Breaking in Highly Oriented Pyrolytic Graphite.

Physical review letters

Werner WSM, Astašauskas V, Ziegler P, Bellissimo A, Stefani G, Linhart L, Libisch F.
PMID: 33216568
Phys Rev Lett. 2020 Nov 06;125(19):196603. doi: 10.1103/PhysRevLett.125.196603.

Two-particle spectroscopy with correlated electron pairs is used to establish the causal link between the secondary electron spectrum, the (π+σ) plasmon peak, and the unoccupied band structure of highly oriented pyrolytic graphite. The plasmon spectrum is resolved with respect...

Cite
Werner WSM, Astašauskas V, Ziegler P, et al. Secondary Electron Emission by Plasmon-Induced Symmetry Breaking in Highly Oriented Pyrolytic Graphite. Phys Rev Lett. 2020;125(19):196603doi: 10.1103/PhysRevLett.125.196603.
Werner, W. S. M., Astašauskas, V., Ziegler, P., Bellissimo, A., Stefani, G., Linhart, L., & Libisch, F. (2020). Secondary Electron Emission by Plasmon-Induced Symmetry Breaking in Highly Oriented Pyrolytic Graphite. Physical review letters, 125(19), 196603. https://doi.org/10.1103/PhysRevLett.125.196603
Werner, Wolfgang S M, et al. "Secondary Electron Emission by Plasmon-Induced Symmetry Breaking in Highly Oriented Pyrolytic Graphite." Physical review letters vol. 125,19 (2020): 196603. doi: https://doi.org/10.1103/PhysRevLett.125.196603
Werner WSM, Astašauskas V, Ziegler P, Bellissimo A, Stefani G, Linhart L, Libisch F. Secondary Electron Emission by Plasmon-Induced Symmetry Breaking in Highly Oriented Pyrolytic Graphite. Phys Rev Lett. 2020 Nov 06;125(19):196603. doi: 10.1103/PhysRevLett.125.196603. PMID: 33216568.
Copy Download .nbib Format: NLM
Observation of the Spin-Orbit Gap in Bilayer Graphene by One-Dimensional Ballistic Transport.

Physical review letters

Banszerus L, Frohn B, Fabian T, Somanchi S, Epping A, Müller M, Neumaier D, Watanabe K, Taniguchi T, Libisch F, Beschoten B, Hassler F, Stampfer C.
PMID: 32412294
Phys Rev Lett. 2020 May 01;124(17):177701. doi: 10.1103/PhysRevLett.124.177701.

We report on measurements of quantized conductance in gate-defined quantum point contacts in bilayer graphene that allow the observation of subband splittings due to spin-orbit coupling. The size of this splitting can be tuned from 40 to 80  μeV...

Cite
Banszerus L, Frohn B, Fabian T, et al. Observation of the Spin-Orbit Gap in Bilayer Graphene by One-Dimensional Ballistic Transport. Phys Rev Lett. 2020;124(17):177701doi: 10.1103/PhysRevLett.124.177701.
Banszerus, L., Frohn, B., Fabian, T., Somanchi, S., Epping, A., Müller, M., Neumaier, D., Watanabe, K., Taniguchi, T., Libisch, F., Beschoten, B., Hassler, F., & Stampfer, C. (2020). Observation of the Spin-Orbit Gap in Bilayer Graphene by One-Dimensional Ballistic Transport. Physical review letters, 124(17), 177701. https://doi.org/10.1103/PhysRevLett.124.177701
Banszerus, L, et al. "Observation of the Spin-Orbit Gap in Bilayer Graphene by One-Dimensional Ballistic Transport." Physical review letters vol. 124,17 (2020): 177701. doi: https://doi.org/10.1103/PhysRevLett.124.177701
Banszerus L, Frohn B, Fabian T, Somanchi S, Epping A, Müller M, Neumaier D, Watanabe K, Taniguchi T, Libisch F, Beschoten B, Hassler F, Stampfer C. Observation of the Spin-Orbit Gap in Bilayer Graphene by One-Dimensional Ballistic Transport. Phys Rev Lett. 2020 May 01;124(17):177701. doi: 10.1103/PhysRevLett.124.177701. PMID: 32412294.
Copy Download .nbib Format: NLM
Showing 1 to 12 of 79 entries