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Year Number of Results
1979 1
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1982 1
1983 1
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1987 1
1988 1
1989 1
1990 1
1991 2
1992 2
1993 1
1994 1
1995 1
1996 3
1997 2
1998 4
1999 7
2000 7
2001 5
2002 4
2003 8
2004 10
2005 11
2006 17
2007 21
2008 22
2009 11
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2011 31
2012 18
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2014 27
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2016 21
2017 38
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2020 41
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2022 34
2023 35
2024 16

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566 results

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Page 1
Decomposition of molecular properties.
Ågren H , Harczuk I , Vahtras O . Ågren H , et al. Phys Chem Chem Phys. 2019 Jan 30;21(5):2251-2270. doi: 10.1039/c8cp04340j. Phys Chem Chem Phys. 2019. PMID: 30663732 Review.
Starting out from the so-called LoProp decomposition scheme [Gagliardi et al., J. Chem. Phys., 2004, 121, 4994] for extracting atomic and inter-atomic contributions to molecular properties we show how this method can be generalized to localized frequency-dependent p …
Starting out from the so-called LoProp decomposition scheme [Gagliardi et al., J. Chem. Phys., 2004, 121, 4994] for extracting atomic
Toward Compositional Contrast by Cryo-STEM.
Elbaum M, Seifer S, Houben L, Wolf SG, Rez P. Elbaum M, et al. Acc Chem Res. 2021 Oct 5;54(19):3621-3631. doi: 10.1021/acs.accounts.1c00279. Epub 2021 Sep 7. Acc Chem Res. 2021. PMID: 34491730 Free article. Review.
Three dimensional (3D) reconstruction provides a map of the local X-ray absorption coefficient. The quantitative contrast enables the visualization of organic materials without stain and measurement of their concentration quantitatively. ...Compositional contrast is access …
Three dimensional (3D) reconstruction provides a map of the local X-ray absorption coefficient. The quantitative contrast enables the …
Stereodynamical Effects by Anisotropic Intermolecular Forces.
Ascenzi D, Scotoni M, Tosi P, Cappelletti D, Pirani F. Ascenzi D, et al. Front Chem. 2019 May 31;7:390. doi: 10.3389/fchem.2019.00390. eCollection 2019. Front Chem. 2019. PMID: 31214573 Free PMC article. Review.
This paper reports on results obtained by combining information from scattering, spectroscopic and reactivity experiments, within a collaboration between the research groups in Perugia and Trento. We addressed particular attention to the reactions of small atomic io …
This paper reports on results obtained by combining information from scattering, spectroscopic and reactivity experiments, within a c …
Reproducibility of protein x-ray diffuse scattering and potential utility for modeling atomic displacement parameters.
Su Z, Dasgupta M, Poitevin F, Mathews II, van den Bedem H, Wall ME, Yoon CH, Wilson MA. Su Z, et al. Struct Dyn. 2021 Jul 8;8(4):044701. doi: 10.1063/4.0000087. eCollection 2021 Jul. Struct Dyn. 2021. PMID: 34258328 Free PMC article.
We present a systematic study of the reproducibility of diffuse scattering from isocyanide hydratase in three different protein forms. ...Our results emphasize the importance of data reproducibility as a model-free measure of diffuse data quality, illustrate the ability of …
We present a systematic study of the reproducibility of diffuse scattering from isocyanide hydratase in three different protein forms …
Formamidinium Lead Halide Perovskite Nanocomposite Scintillators.
Braddock IHB, Al Sid Cheikh M, Ghosh J, Mulholland RE, O'Neill JG, Stolojan V, Crean C, Sweeney SJ, Sellin PJ. Braddock IHB, et al. Nanomaterials (Basel). 2022 Jun 22;12(13):2141. doi: 10.3390/nano12132141. Nanomaterials (Basel). 2022. PMID: 35807976 Free PMC article.
Conventional inorganic scintillators have a fixed emission wavelength and require expensive, high-temperature synthesis; plastic scintillators, while fast, inexpensive, and robust, have low atomic numbers, limiting their X-ray stopping power. Formamidinium lead halide pero …
Conventional inorganic scintillators have a fixed emission wavelength and require expensive, high-temperature synthesis; plastic scintillato …
Limiting factors in atomic resolution cryo electron microscopy: no simple tricks.
Zhang X, Zhou ZH. Zhang X, et al. J Struct Biol. 2011 Sep;175(3):253-63. doi: 10.1016/j.jsb.2011.05.004. Epub 2011 May 24. J Struct Biol. 2011. PMID: 21627992 Free PMC article. Review.
(b) More accurate measurement of defocus value could be obtained by imaging areas adjacent to the target area at high electron dose and by measuring the image shift induced by tilting the electron beam. (c) Each known Fourier coefficient in the Fourier transform of a cryoE …
(b) More accurate measurement of defocus value could be obtained by imaging areas adjacent to the target area at high electron dose and by m …
Physical properties of {Ti,Zr,Hf}2Ni2Sn compounds.
Romaka VV, Rogl G, Buršíková V, Buršík J, Michor H, Grytsiv A, Bauer E, Giester G, Rogl P. Romaka VV, et al. Dalton Trans. 2021 Dec 20;51(1):361-374. doi: 10.1039/d1dt03198h. Dalton Trans. 2021. PMID: 34897329
For all three polycrystalline compounds (relative densities >95%) the electrical resistivity of the samples is metallic-like with dominant scattering from static defects mainly conditioned by off-stoichiometry. ...The calculated density of states is similar for all thre …
For all three polycrystalline compounds (relative densities >95%) the electrical resistivity of the samples is metallic-like with dominan …
Nickel-Fullerene Nanocomposites as Thermoelectric Materials.
Nadtochiy A, Kozachenko V, Korotchenkov O, Schlosser V. Nadtochiy A, et al. Nanomaterials (Basel). 2022 Mar 31;12(7):1163. doi: 10.3390/nano12071163. Nanomaterials (Basel). 2022. PMID: 35407281 Free PMC article.
The thermoelectric properties of the nanocomposites have been measured from room temperature down to about 30 K. The main idea is that the phonon scattering can be enhanced at the C(60)/matrix heterointerface. The distribution of atoms within the Ni and Ni-C(60) lay …
The thermoelectric properties of the nanocomposites have been measured from room temperature down to about 30 K. The main idea is that the p …
A reflectometric interferometric nanosensor for sarcosine.
Diltemiz SE, Uslu O. Diltemiz SE, et al. Biotechnol Prog. 2015 Jan-Feb;31(1):55-61. doi: 10.1002/btpr.1955. Epub 2015 Jan 21. Biotechnol Prog. 2015. PMID: 25079110
Sarcosine imprinted nanoparticles were prepared by two phase miniemulsion polymerization and characterized with transmission electron microscopy, dynamic light scattering, and atomic force microscopy measurements. The glass substrates (10 10 mm(2)) were treated with …
Sarcosine imprinted nanoparticles were prepared by two phase miniemulsion polymerization and characterized with transmission electron micros …
Quantitative atomic cross section analysis by 4D-STEM and EELS.
Seifer S, Houben L, Elbaum M. Seifer S, et al. Ultramicroscopy. 2024 May;259:113936. doi: 10.1016/j.ultramic.2024.113936. Epub 2024 Feb 8. Ultramicroscopy. 2024. PMID: 38359631 Free article.
The energy of the loss peak depends primarily on the valence electrons. Elastic scattering is dominant at higher angles, and can be fitted conveniently to 1/teta(3.7) with a linear dependence on atomic number for light atoms. ...Zeta is an analytical equivale …
The energy of the loss peak depends primarily on the valence electrons. Elastic scattering is dominant at higher angles, and can be f …
566 results