Advanced Search
Display options
Filter resources
Text Availability
Article type
Publication date
Species
Language
Sex
Age
Showing 1 to 12 of 451 entries
Sorted by: Best Match Show Resources per page
Transformations of Organic Molecules over Metal Surfaces: Insights from Computational Catalysis.

Chemical record (New York, N.Y.)

Moskaleva L, Chiu CC, Genest A, Rösch N.
PMID: 27523734
Chem Rec. 2016 Oct;16(5):2388-2404. doi: 10.1002/tcr.201600048. Epub 2016 Aug 15.

Much-needed progress in catalytic science, in particular regarding heterogeneous catalysis, is associated with the transition from largely empirical research to rational design of new and improved catalysts and catalytic processes. To achieve this goal, fundamental atomic-scale understanding of catalytic...

Cite
Moskaleva L, Chiu CC, Genest A, et al. Transformations of Organic Molecules over Metal Surfaces: Insights from Computational Catalysis. Chem Rec. 2016;16(5):2388-2404doi: 10.1002/tcr.201600048.
Moskaleva, L., Chiu, C. C., Genest, A., & Rösch, N. (2016). Transformations of Organic Molecules over Metal Surfaces: Insights from Computational Catalysis. Chemical record (New York, N.Y.), 16(5), 2388-2404. https://doi.org/10.1002/tcr.201600048
Moskaleva, Lyudmila, et al. "Transformations of Organic Molecules over Metal Surfaces: Insights from Computational Catalysis." Chemical record (New York, N.Y.) vol. 16,5 (2016): 2388-2404. doi: https://doi.org/10.1002/tcr.201600048
Moskaleva L, Chiu CC, Genest A, Rösch N. Transformations of Organic Molecules over Metal Surfaces: Insights from Computational Catalysis. Chem Rec. 2016 Oct;16(5):2388-2404. doi: 10.1002/tcr.201600048. Epub 2016 Aug 15. PMID: 27523734.
Copy Download .nbib Format: NLM
Assessment of hybrid density functionals for the adsorption of carbon monoxide on platinum model clusters.

The journal of physical chemistry. A

Soini TM, Genest A, Rösch N.
PMID: 25876734
J Phys Chem A. 2015 Apr 30;119(17):4051-6. doi: 10.1021/acs.jpca.5b01803. Epub 2015 Apr 16.

We examined computationally the adsorption of CO on various sites of (111) facets of the model clusters Pt79 and Pt225 with the semilocal exchange-correlation functionals PBE, TPSS, and M06L as well as their corresponding hybrid DFT variants PBE0, TPSSh,...

Cite
Soini TM, Genest A, Rösch N. Assessment of hybrid density functionals for the adsorption of carbon monoxide on platinum model clusters. J Phys Chem A. 2015;119(17):4051-6doi: 10.1021/acs.jpca.5b01803.
Soini, T. M., Genest, A., & Rösch, N. (2015). Assessment of hybrid density functionals for the adsorption of carbon monoxide on platinum model clusters. The journal of physical chemistry. A, 119(17), 4051-6. https://doi.org/10.1021/acs.jpca.5b01803
Soini, Thomas M, et al. "Assessment of hybrid density functionals for the adsorption of carbon monoxide on platinum model clusters." The journal of physical chemistry. A vol. 119,17 (2015): 4051-6. doi: https://doi.org/10.1021/acs.jpca.5b01803
Soini TM, Genest A, Rösch N. Assessment of hybrid density functionals for the adsorption of carbon monoxide on platinum model clusters. J Phys Chem A. 2015 Apr 30;119(17):4051-6. doi: 10.1021/acs.jpca.5b01803. Epub 2015 Apr 16. PMID: 25876734.
Copy Download .nbib Format: NLM
Reporting systems in gastrointestinal endoscopy: Requirements and standards facilitating quality improvement: European Society of Gastrointestinal Endoscopy position statement.

United European gastroenterology journal

Bretthauer M, Aabakken L, Dekker E, Kaminski MF, Rösch T, Hultcrantz R, Suchanek S, Jover R, Kuipers EJ, Bisschops R, Spada C, Valori R, Domagk D, Rees C, Rutter MD.
PMID: 27087943
United European Gastroenterol J. 2016 Apr;4(2):172-6. doi: 10.1177/2050640616629079. Epub 2016 Feb 03.

To develop standards for high quality of gastrointestinal endoscopy, the European Society of Gastrointestinal Endoscopy (ESGE) has established the ESGE Quality Improvement Committee. A prerequisite for quality assurance and improvement for all gastrointestinal endoscopy procedures is state-of-the-art integrated digital...

Cite
Bretthauer M, Aabakken L, Dekker E, et al. Reporting systems in gastrointestinal endoscopy: Requirements and standards facilitating quality improvement: European Society of Gastrointestinal Endoscopy position statement. United European Gastroenterol J. 2016;4(2):172-6doi: 10.1177/2050640616629079.
Bretthauer, M., Aabakken, L., Dekker, E., Kaminski, M. F., Rösch, T., Hultcrantz, R., Suchanek, S., Jover, R., Kuipers, E. J., Bisschops, R., Spada, C., Valori, R., Domagk, D., Rees, C., Rutter, M. D. (2016). Reporting systems in gastrointestinal endoscopy: Requirements and standards facilitating quality improvement: European Society of Gastrointestinal Endoscopy position statement. United European gastroenterology journal, 4(2), 172-6. https://doi.org/10.1177/2050640616629079
Bretthauer, Michael, et al. "Reporting systems in gastrointestinal endoscopy: Requirements and standards facilitating quality improvement: European Society of Gastrointestinal Endoscopy position statement." United European gastroenterology journal vol. 4,2 (2016): 172-6. doi: https://doi.org/10.1177/2050640616629079
Bretthauer M, Aabakken L, Dekker E, Kaminski MF, Rösch T, Hultcrantz R, Suchanek S, Jover R, Kuipers EJ, Bisschops R, Spada C, Valori R, Domagk D, Rees C, Rutter MD. Reporting systems in gastrointestinal endoscopy: Requirements and standards facilitating quality improvement: European Society of Gastrointestinal Endoscopy position statement. United European Gastroenterol J. 2016 Apr;4(2):172-6. doi: 10.1177/2050640616629079. Epub 2016 Feb 03. PMID: 27087943; PMCID: PMC4804380.
Copy Download .nbib Format: NLM
The grand old party - a party of values?.

SpringerPlus

Mair P, Rusch T, Hornik K.
PMID: 25512889
Springerplus. 2014 Nov 27;3:697. doi: 10.1186/2193-1801-3-697. eCollection 2014.

In this article we explore the semantic space spanned by self-reported statements of Republican voters. Our semantic structure analysis uses multidimensional scaling and social network analysis to extract, explore, and visualize word patterns and word associations in response to...

Cite
Mair P, Rusch T, Hornik K. The grand old party - a party of values?. Springerplus. 2014;3:697doi: 10.1186/2193-1801-3-697.
Mair, P., Rusch, T., & Hornik, K. (2014). The grand old party - a party of values?. SpringerPlus, 3697. https://doi.org/10.1186/2193-1801-3-697
Mair, Patrick, et al. "The grand old party - a party of values?." SpringerPlus vol. 3 (2014): 697. doi: https://doi.org/10.1186/2193-1801-3-697
Mair P, Rusch T, Hornik K. The grand old party - a party of values?. Springerplus. 2014 Nov 27;3:697. doi: 10.1186/2193-1801-3-697. eCollection 2014. PMID: 25512889; PMCID: PMC4256162.
Copy Download .nbib Format: NLM
The DFT+Umol method and its application to the adsorption of CO on platinum model clusters.

The Journal of chemical physics

Soini TM, Krüger S, Rösch N.
PMID: 24811657
J Chem Phys. 2014 May 07;140(17):174709. doi: 10.1063/1.4872037.

Semi-local DFT approximations are well-known for their difficulty with describing the correct site preference for the adsorption of CO molecules on (111) surfaces of several late transition metals. To address this problem originating from a residual self-interaction in the...

Cite
Soini TM, Krüger S, Rösch N. The DFT+Umol method and its application to the adsorption of CO on platinum model clusters. J Chem Phys. 2014;140(17):174709doi: 10.1063/1.4872037.
Soini, T. M., Krüger, S., & Rösch, N. (2014). The DFT+Umol method and its application to the adsorption of CO on platinum model clusters. The Journal of chemical physics, 140(17), 174709. https://doi.org/10.1063/1.4872037
Soini, Thomas M, et al. "The DFT+Umol method and its application to the adsorption of CO on platinum model clusters." The Journal of chemical physics vol. 140,17 (2014): 174709. doi: https://doi.org/10.1063/1.4872037
Soini TM, Krüger S, Rösch N. The DFT+Umol method and its application to the adsorption of CO on platinum model clusters. J Chem Phys. 2014 May 07;140(17):174709. doi: 10.1063/1.4872037. PMID: 24811657.
Copy Download .nbib Format: NLM
Effects of the Aluminum Content of a Zeolite Framework:  A DFT/MM Hybrid Approach Based on Cluster Models Embedded in an Elastic Polarizable Environment.

Journal of chemical theory and computation

Ivanova Shor EA, Shor AM, Nasluzov VA, Vayssilov GN, Rösch N.
PMID: 26641513
J Chem Theory Comput. 2005 May;1(3):459-71. doi: 10.1021/ct049910n.

We report the first computational study with a sophisticated quantum mechanics/molecular mechanics (QM/MM) technique that addresses the effect of the aluminum content on the properties of acidic zeolites. To account for both electrostatic and mechanical interaction between the QM...

Cite
Ivanova Shor EA, Shor AM, Nasluzov VA, et al. Effects of the Aluminum Content of a Zeolite Framework:  A DFT/MM Hybrid Approach Based on Cluster Models Embedded in an Elastic Polarizable Environment. J Chem Theory Comput. 2005;1(3):459-71doi: 10.1021/ct049910n.
Ivanova Shor, E. A., Shor, A. M., Nasluzov, V. A., Vayssilov, G. N., & Rösch, N. (2005). Effects of the Aluminum Content of a Zeolite Framework:  A DFT/MM Hybrid Approach Based on Cluster Models Embedded in an Elastic Polarizable Environment. Journal of chemical theory and computation, 1(3), 459-71. https://doi.org/10.1021/ct049910n
Ivanova Shor, Elena A, et al. "Effects of the Aluminum Content of a Zeolite Framework:  A DFT/MM Hybrid Approach Based on Cluster Models Embedded in an Elastic Polarizable Environment." Journal of chemical theory and computation vol. 1,3 (2005): 459-71. doi: https://doi.org/10.1021/ct049910n
Ivanova Shor EA, Shor AM, Nasluzov VA, Vayssilov GN, Rösch N. Effects of the Aluminum Content of a Zeolite Framework:  A DFT/MM Hybrid Approach Based on Cluster Models Embedded in an Elastic Polarizable Environment. J Chem Theory Comput. 2005 May;1(3):459-71. doi: 10.1021/ct049910n. PMID: 26641513.
Copy Download .nbib Format: NLM
Room temperature water Leidenfrost droplets.

Soft matter

Celestini F, Frisch T, Pomeau Y.
PMID: 26029759
Soft Matter. 2013 Oct 28;9(40):9535-8. doi: 10.1039/c3sm51608c.

We experimentally investigate the Leidenfrost effect at pressures ranging from 1 to 0.05 atmospheric pressure. As a direct consequence of the Clausius–Clapeyron phase diagram of water, the droplet temperature can be at ambient temperature in a non-sophisticated lab environment....

Cite
Celestini F, Frisch T, Pomeau Y. Room temperature water Leidenfrost droplets. Soft Matter. 2013;9(40):9535-8doi: 10.1039/c3sm51608c.
Celestini, F., Frisch, T., & Pomeau, Y. (2013). Room temperature water Leidenfrost droplets. Soft matter, 9(40), 9535-8. https://doi.org/10.1039/c3sm51608c
Celestini, Franck, et al. "Room temperature water Leidenfrost droplets." Soft matter vol. 9,40 (2013): 9535-8. doi: https://doi.org/10.1039/c3sm51608c
Celestini F, Frisch T, Pomeau Y. Room temperature water Leidenfrost droplets. Soft Matter. 2013 Oct 28;9(40):9535-8. doi: 10.1039/c3sm51608c. PMID: 26029759.
Copy Download .nbib Format: NLM
Endoscopic mucosal resection of large colorectal adenomas: Only for expert centers?.

United European gastroenterology journal

Anders M, Rösch T.
PMID: 25922677
United European Gastroenterol J. 2015 Apr;3(2):171-3. doi: 10.1177/2050640615577535.

No abstract available.

Cite
Anders M, Rösch T. Endoscopic mucosal resection of large colorectal adenomas: Only for expert centers?. United European Gastroenterol J. 2015;3(2):171-3doi: 10.1177/2050640615577535.
Anders, M., & Rösch, T. (2015). Endoscopic mucosal resection of large colorectal adenomas: Only for expert centers?. United European gastroenterology journal, 3(2), 171-3. https://doi.org/10.1177/2050640615577535
Anders, Mario, and Rösch, Thomas. "Endoscopic mucosal resection of large colorectal adenomas: Only for expert centers?." United European gastroenterology journal vol. 3,2 (2015): 171-3. doi: https://doi.org/10.1177/2050640615577535
Anders M, Rösch T. Endoscopic mucosal resection of large colorectal adenomas: Only for expert centers?. United European Gastroenterol J. 2015 Apr;3(2):171-3. doi: 10.1177/2050640615577535. PMID: 25922677; PMCID: PMC4406906.
Copy Download .nbib Format: NLM
Olefin epoxidation by molybdenum and rhenium peroxo and hydroperoxo compounds: a density functional study of energetics and mechanisms.

Inorganic chemistry

Gisdakis P, Yudanov IV, Rösch N.
PMID: 11442374
Inorg Chem. 2001 Jul 16;40(15):3755-65. doi: 10.1021/ic010201j.

A density functional study on olefin epoxidation by rhenium and molybdenum peroxo complexes has been carried out. Various intermediates and transition structures of the systems CH3ReO3/H2O2, H3NMoO3/H2O2, and H3NOMoO3/H2O2 were characterized, including ligated and unligated mono- and bisperoxo intermediates...

Cite
Gisdakis P, Yudanov IV, Rösch N. Olefin epoxidation by molybdenum and rhenium peroxo and hydroperoxo compounds: a density functional study of energetics and mechanisms. Inorg Chem. 2001;40(15):3755-65doi: 10.1021/ic010201j.
Gisdakis, P., Yudanov, I. V., & Rösch, N. (2001). Olefin epoxidation by molybdenum and rhenium peroxo and hydroperoxo compounds: a density functional study of energetics and mechanisms. Inorganic chemistry, 40(15), 3755-65. https://doi.org/10.1021/ic010201j
Gisdakis, P, et al. "Olefin epoxidation by molybdenum and rhenium peroxo and hydroperoxo compounds: a density functional study of energetics and mechanisms." Inorganic chemistry vol. 40,15 (2001): 3755-65. doi: https://doi.org/10.1021/ic010201j
Gisdakis P, Yudanov IV, Rösch N. Olefin epoxidation by molybdenum and rhenium peroxo and hydroperoxo compounds: a density functional study of energetics and mechanisms. Inorg Chem. 2001 Jul 16;40(15):3755-65. doi: 10.1021/ic010201j. PMID: 11442374.
Copy Download .nbib Format: NLM
Amphiregulin is expressed in primary cultures of prostate myofibroblasts, fibroblasts, epithelial cells, and in prostate tissue.

Prostate cancer and prostatic diseases

Tørring N, Sørensen BS, Bösch ST, Klocker H, Nexø E.
PMID: 12496886
Prostate Cancer Prostatic Dis. 1998 Sep;1(5):262-267. doi: 10.1038/sj.pcan.4500250.

The effect and expression of amphiregulin, a growth factor of the EGF-system was investigated in prostate primary cell cultures and in human prostate tissue. Amphiregulin increases proliferation in primary cultures of prostate myofibroblasts grown in serum-free medium. Amphiregulin mRNA...

Cite
Tørring N, Sørensen BS, Bösch ST, et al. Amphiregulin is expressed in primary cultures of prostate myofibroblasts, fibroblasts, epithelial cells, and in prostate tissue. Prostate Cancer Prostatic Dis. 1998;1(5):262-267doi: 10.1038/sj.pcan.4500250.
Tørring, N., Sørensen, B. S., Bösch, S. T., Klocker, H., & Nexø, E. (1998). Amphiregulin is expressed in primary cultures of prostate myofibroblasts, fibroblasts, epithelial cells, and in prostate tissue. Prostate cancer and prostatic diseases, 1(5), 262-267. https://doi.org/10.1038/sj.pcan.4500250
Tørring, N, et al. "Amphiregulin is expressed in primary cultures of prostate myofibroblasts, fibroblasts, epithelial cells, and in prostate tissue." Prostate cancer and prostatic diseases vol. 1,5 (1998): 262-267. doi: https://doi.org/10.1038/sj.pcan.4500250
Tørring N, Sørensen BS, Bösch ST, Klocker H, Nexø E. Amphiregulin is expressed in primary cultures of prostate myofibroblasts, fibroblasts, epithelial cells, and in prostate tissue. Prostate Cancer Prostatic Dis. 1998 Sep;1(5):262-267. doi: 10.1038/sj.pcan.4500250. PMID: 12496886.
Copy Download .nbib Format: NLM
Development of a gamma-gamma-perturbed angular correlation one-detector method (1-PAC) for investigation of physico-chemical properties of matter.

Applied radiation and isotopes : including data, instrumentation and methods for use in agriculture, industry and medicine

Filossofov DV, Novgorodov AF, Korolev NA, Egorov VG, Lebedev NA, Akselrod ZZ, Brockmann J, Rösch F.
PMID: 12201152
Appl Radiat Isot. 2002 Sep;57(3):437-43. doi: 10.1016/s0969-8043(02)00122-7.

A new method of the perturbed angular gamma-gamma-correlation (PAC) measurements was developed using one HPGe detector only (1-PAC). For quantifying the perturbation factor, the ratio R gamma 1 + gamma 2 of the summing peak composed of two cascade...

Cite
Filossofov DV, Novgorodov AF, Korolev NA, et al. Development of a gamma-gamma-perturbed angular correlation one-detector method (1-PAC) for investigation of physico-chemical properties of matter. Appl Radiat Isot. 2002;57(3):437-43doi: 10.1016/s0969-8043(02)00122-7.
Filossofov, D. V., Novgorodov, A. F., Korolev, N. A., Egorov, V. G., Lebedev, N. A., Akselrod, Z. Z., Brockmann, J., & Rösch, F. (2002). Development of a gamma-gamma-perturbed angular correlation one-detector method (1-PAC) for investigation of physico-chemical properties of matter. Applied radiation and isotopes : including data, instrumentation and methods for use in agriculture, industry and medicine, 57(3), 437-43. https://doi.org/10.1016/s0969-8043(02)00122-7
Filossofov, D V, et al. "Development of a gamma-gamma-perturbed angular correlation one-detector method (1-PAC) for investigation of physico-chemical properties of matter." Applied radiation and isotopes : including data, instrumentation and methods for use in agriculture, industry and medicine vol. 57,3 (2002): 437-43. doi: https://doi.org/10.1016/s0969-8043(02)00122-7
Filossofov DV, Novgorodov AF, Korolev NA, Egorov VG, Lebedev NA, Akselrod ZZ, Brockmann J, Rösch F. Development of a gamma-gamma-perturbed angular correlation one-detector method (1-PAC) for investigation of physico-chemical properties of matter. Appl Radiat Isot. 2002 Sep;57(3):437-43. doi: 10.1016/s0969-8043(02)00122-7. PMID: 12201152.
Copy Download .nbib Format: NLM
Dark-bright solitons in inhomogeneous Bose-Einstein condensates.

Physical review letters

Busch T, Anglin JR.
PMID: 11461449
Phys Rev Lett. 2001 Jul 02;87(1):010401. doi: 10.1103/PhysRevLett.87.010401. Epub 2001 Jun 15.

We investigate dark-bright vector solitary wave solutions to the coupled nonlinear Schrödinger equations which describe an inhomogeneous two-species Bose-Einstein condensate. While these structures are well known in nonlinear fiber optics, we show that spatial inhomogeneity strongly affects their motion,...

Cite
Busch T, Anglin JR. Dark-bright solitons in inhomogeneous Bose-Einstein condensates. Phys Rev Lett. 2001;87(1):010401doi: 10.1103/PhysRevLett.87.010401.
Busch, T., & Anglin, J. R. (2001). Dark-bright solitons in inhomogeneous Bose-Einstein condensates. Physical review letters, 87(1), 010401. https://doi.org/10.1103/PhysRevLett.87.010401
Busch, T, and Anglin, J R. "Dark-bright solitons in inhomogeneous Bose-Einstein condensates." Physical review letters vol. 87,1 (2001): 010401. doi: https://doi.org/10.1103/PhysRevLett.87.010401
Busch T, Anglin JR. Dark-bright solitons in inhomogeneous Bose-Einstein condensates. Phys Rev Lett. 2001 Jul 02;87(1):010401. doi: 10.1103/PhysRevLett.87.010401. Epub 2001 Jun 15. PMID: 11461449.
Copy Download .nbib Format: NLM
Showing 1 to 12 of 451 entries