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Showing 1 to 12 of 209 entries
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From Classical to Quantum and Back: A Hamiltonian Scheme for Adaptive Multiresolution Classical/Path-Integral Simulations.

Journal of chemical theory and computation

Kreis K, Tuckerman ME, Donadio D, Kremer K, Potestio R.
PMID: 27214610
J Chem Theory Comput. 2016 Jul 12;12(7):3030-9. doi: 10.1021/acs.jctc.6b00242. Epub 2016 Jun 08.

Quantum delocalization of atomic nuclei affects the physical properties of many hydrogen-rich liquids and biological systems even at room temperature. In computer simulations, quantum nuclei can be modeled via the path-integral formulation of quantum statistical mechanics, which implies a...

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Kreis K, Tuckerman ME, Donadio D, et al. From Classical to Quantum and Back: A Hamiltonian Scheme for Adaptive Multiresolution Classical/Path-Integral Simulations. J Chem Theory Comput. 2016;12(7):3030-9doi: 10.1021/acs.jctc.6b00242.
Kreis, K., Tuckerman, M. E., Donadio, D., Kremer, K., & Potestio, R. (2016). From Classical to Quantum and Back: A Hamiltonian Scheme for Adaptive Multiresolution Classical/Path-Integral Simulations. Journal of chemical theory and computation, 12(7), 3030-9. https://doi.org/10.1021/acs.jctc.6b00242
Kreis, Karsten, et al. "From Classical to Quantum and Back: A Hamiltonian Scheme for Adaptive Multiresolution Classical/Path-Integral Simulations." Journal of chemical theory and computation vol. 12,7 (2016): 3030-9. doi: https://doi.org/10.1021/acs.jctc.6b00242
Kreis K, Tuckerman ME, Donadio D, Kremer K, Potestio R. From Classical to Quantum and Back: A Hamiltonian Scheme for Adaptive Multiresolution Classical/Path-Integral Simulations. J Chem Theory Comput. 2016 Jul 12;12(7):3030-9. doi: 10.1021/acs.jctc.6b00242. Epub 2016 Jun 08. PMID: 27214610.
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First Principles Simulations of the Infrared Spectrum of Liquid Water Using Hybrid Density Functionals.

Journal of chemical theory and computation

Zhang C, Donadio D, Gygi F, Galli G.
PMID: 26610134
J Chem Theory Comput. 2011 May 10;7(5):1443-9. doi: 10.1021/ct2000952. Epub 2011 Mar 21.

We show that first principles hybrid functional (PBE0) simulations of the infrared spectrum of liquid water yields a much better agreement with experimental results than a semilocal functional description; in particular, the quantitative accord with measured stretching and bending...

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Zhang C, Donadio D, Gygi F, et al. First Principles Simulations of the Infrared Spectrum of Liquid Water Using Hybrid Density Functionals. J Chem Theory Comput. 2011;7(5):1443-9doi: 10.1021/ct2000952.
Zhang, C., Donadio, D., Gygi, F., & Galli, G. (2011). First Principles Simulations of the Infrared Spectrum of Liquid Water Using Hybrid Density Functionals. Journal of chemical theory and computation, 7(5), 1443-9. https://doi.org/10.1021/ct2000952
Zhang, Cui, et al. "First Principles Simulations of the Infrared Spectrum of Liquid Water Using Hybrid Density Functionals." Journal of chemical theory and computation vol. 7,5 (2011): 1443-9. doi: https://doi.org/10.1021/ct2000952
Zhang C, Donadio D, Gygi F, Galli G. First Principles Simulations of the Infrared Spectrum of Liquid Water Using Hybrid Density Functionals. J Chem Theory Comput. 2011 May 10;7(5):1443-9. doi: 10.1021/ct2000952. Epub 2011 Mar 21. PMID: 26610134.
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Laparoscopic-Assisted Surgery.

Seminars in laparoscopic surgery

Gorey TF, Bonadio F.
PMID: 10401147
Semin Laparosc Surg. 1997 Jun;4(2):102-109. doi: 10.1053/SLAS00400102.

Laparoscopy has changed our approach to surgery, instrumentation, and training. Remote control surgery with robotics and telematics is a future possibility. Laparoscopic surgery still has limitations not least the manual assessment of fixity and extraction of tumors with concern...

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Gorey TF, Bonadio F. Laparoscopic-Assisted Surgery. Semin Laparosc Surg. 1997;4(2):102-109doi: 10.1053/SLAS00400102.
Gorey, T. F., & Bonadio, F. (1997). Laparoscopic-Assisted Surgery. Seminars in laparoscopic surgery, 4(2), 102-109. https://doi.org/10.1053/SLAS00400102
Gorey, and Bonadio. "Laparoscopic-Assisted Surgery." Seminars in laparoscopic surgery vol. 4,2 (1997): 102-109. doi: https://doi.org/10.1053/SLAS00400102
Gorey TF, Bonadio F. Laparoscopic-Assisted Surgery. Semin Laparosc Surg. 1997 Jun;4(2):102-109. doi: 10.1053/SLAS00400102. PMID: 10401147.
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[Case of evolutive tuberculosis of Fowler's segment after homolateral superior lobectomy; clinicoradiological data & pathogenetic considerations].

Minerva medica

DONADIO V, CARELLI E.
PMID: 13674244
Minerva Med. 1959 Jun 20;50(49):2025-30.

No abstract available.

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DONADIO V, CARELLI E. Sopra un caso di tubercolosi evolutiva del segmento di Fowler dopo lobectomia superiore omolaterale; rilievi clinico-radiologici e considerazioni patogenetiche. [Case of evolutive tuberculosis of Fowler's segment after homolateral superior lobectomy; clinicoradiological data & pathogenetic considerations]. Minerva Med. 1959;50(49):2025-30
DONADIO, V., & CARELLI, E. (1959). Sopra un caso di tubercolosi evolutiva del segmento di Fowler dopo lobectomia superiore omolaterale; rilievi clinico-radiologici e considerazioni patogenetiche. [Case of evolutive tuberculosis of Fowler's segment after homolateral superior lobectomy; clinicoradiological data & pathogenetic considerations]. Minerva medica, 50(49), 2025-30.
DONADIO, V, and CARELLI, E. "Sopra un caso di tubercolosi evolutiva del segmento di Fowler dopo lobectomia superiore omolaterale; rilievi clinico-radiologici e considerazioni patogenetiche." [Case of evolutive tuberculosis of Fowler's segment after homolateral superior lobectomy; clinicoradiological data & pathogenetic considerations]. Minerva medica vol. 50,49 (1959): 2025-30.
DONADIO V, CARELLI E. Sopra un caso di tubercolosi evolutiva del segmento di Fowler dopo lobectomia superiore omolaterale; rilievi clinico-radiologici e considerazioni patogenetiche. [Case of evolutive tuberculosis of Fowler's segment after homolateral superior lobectomy; clinicoradiological data & pathogenetic considerations]. Minerva Med. 1959 Jun 20;50(49):2025-30. Italian. PMID: 13674244.
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[The present status of tubercular epidemiology].

Minerva medica

DONADIO V, ARIZIO A.
PMID: 14028565
Minerva Med. 1962 Sep 29;53:2868-72.

No abstract available.

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DONADIO V, ARIZIO A. [The present status of tubercular epidemiology]. Minerva Med. 1962;53:2868-72
DONADIO, V., & ARIZIO, A. (1962). [The present status of tubercular epidemiology]. Minerva medica, 532868-72.
DONADIO, V, and ARIZIO, A. "[The present status of tubercular epidemiology]." Minerva medica vol. 53 (1962): 2868-72.
DONADIO V, ARIZIO A. [The present status of tubercular epidemiology]. Minerva Med. 1962 Sep 29;53:2868-72. Italian. PMID: 14028565.
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Duties of the medical expert in court.

The Journal of the Indiana State Medical Association

DONADIO JV.
PMID: 13817445
J Indiana State Med Assoc. 1960 May;53:851-4.

No abstract available.

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DONADIO JV. Duties of the medical expert in court. J Indiana State Med Assoc. 1960;53:851-4
DONADIO, J. V. (1960). Duties of the medical expert in court. The Journal of the Indiana State Medical Association, 53851-4.
DONADIO, J V. "Duties of the medical expert in court." The Journal of the Indiana State Medical Association vol. 53 (1960): 851-4.
DONADIO JV. Duties of the medical expert in court. J Indiana State Med Assoc. 1960 May;53:851-4. PMID: 13817445.
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Headspace solid-phase microextraction (HS-SPME) and liquid-liquid extraction (LLE): comparison of the performance in classification of ecstasy tablets. Part 2.

Forensic science international

Bonadio F, Margot P, Delémont O, Esseiva P.
PMID: 18995974
Forensic Sci Int. 2008 Nov 20;182(1):52-6. doi: 10.1016/j.forsciint.2008.10.005. Epub 2008 Nov 07.

Headspace solid-phase microextraction (HS-SPME) is assessed as an alternative to liquid-liquid extraction (LLE) currently used for 3,4-methylenedioxymethampethamine (MDMA) profiling. Both methods were compared evaluating their performance in discriminating and classifying samples. For this purpose 62 different seizures were analysed...

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Bonadio F, Margot P, Delémont O, et al. Headspace solid-phase microextraction (HS-SPME) and liquid-liquid extraction (LLE): comparison of the performance in classification of ecstasy tablets. Part 2. Forensic Sci Int. 2008;182(1):52-6doi: 10.1016/j.forsciint.2008.10.005.
Bonadio, F., Margot, P., Delémont, O., & Esseiva, P. (2008). Headspace solid-phase microextraction (HS-SPME) and liquid-liquid extraction (LLE): comparison of the performance in classification of ecstasy tablets. Part 2. Forensic science international, 182(1), 52-6. https://doi.org/10.1016/j.forsciint.2008.10.005
Bonadio, Federica, et al. "Headspace solid-phase microextraction (HS-SPME) and liquid-liquid extraction (LLE): comparison of the performance in classification of ecstasy tablets. Part 2." Forensic science international vol. 182,1 (2008): 52-6. doi: https://doi.org/10.1016/j.forsciint.2008.10.005
Bonadio F, Margot P, Delémont O, Esseiva P. Headspace solid-phase microextraction (HS-SPME) and liquid-liquid extraction (LLE): comparison of the performance in classification of ecstasy tablets. Part 2. Forensic Sci Int. 2008 Nov 20;182(1):52-6. doi: 10.1016/j.forsciint.2008.10.005. Epub 2008 Nov 07. PMID: 18995974.
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Complete gene expression profiling of Saccharopolyspora erythraea using GeneChip DNA microarrays.

Microbial cell factories

Peano C, Bicciato S, Corti G, Ferrari F, Rizzi E, Bonnal RJ, Bordoni R, Albertini A, Bernardi LR, Donadio S, De Bellis G.
PMID: 18039355
Microb Cell Fact. 2007 Nov 26;6:37. doi: 10.1186/1475-2859-6-37.

BACKGROUND: The Saccharopolyspora erythraea genome sequence, recently published, presents considerable divergence from those of streptomycetes in gene organization and function, confirming the remarkable potential of S. erythraea for producing many other secondary metabolites in addition to erythromycin. In order...

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Peano C, Bicciato S, Corti G, et al. Complete gene expression profiling of Saccharopolyspora erythraea using GeneChip DNA microarrays. Microb Cell Fact. 2007;6:37doi: 10.1186/1475-2859-6-37.
Peano, C., Bicciato, S., Corti, G., Ferrari, F., Rizzi, E., Bonnal, R. J., Bordoni, R., Albertini, A., Bernardi, L. R., Donadio, S., & De Bellis, G. (2007). Complete gene expression profiling of Saccharopolyspora erythraea using GeneChip DNA microarrays. Microbial cell factories, 637. https://doi.org/10.1186/1475-2859-6-37
Peano, Clelia, et al. "Complete gene expression profiling of Saccharopolyspora erythraea using GeneChip DNA microarrays." Microbial cell factories vol. 6 (2007): 37. doi: https://doi.org/10.1186/1475-2859-6-37
Peano C, Bicciato S, Corti G, Ferrari F, Rizzi E, Bonnal RJ, Bordoni R, Albertini A, Bernardi LR, Donadio S, De Bellis G. Complete gene expression profiling of Saccharopolyspora erythraea using GeneChip DNA microarrays. Microb Cell Fact. 2007 Nov 26;6:37. doi: 10.1186/1475-2859-6-37. PMID: 18039355; PMCID: PMC2206050.
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Probing properties of water under confinement: infrared spectra.

Nano letters

Sharma M, Donadio D, Schwegler E, Galli G.
PMID: 18680386
Nano Lett. 2008 Sep;8(9):2959-62. doi: 10.1021/nl8018643. Epub 2008 Aug 05.

We have computed infrared (IR) spectra of water confined between nonpolar surfaces by using ab initio calculations. We show that electronic charge fluctuations at the interface, occurring even in the case of highly hydrophobic substrates, are responsible for specific...

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Sharma M, Donadio D, Schwegler E, et al. Probing properties of water under confinement: infrared spectra. Nano Lett. 2008;8(9):2959-62doi: 10.1021/nl8018643.
Sharma, M., Donadio, D., Schwegler, E., & Galli, G. (2008). Probing properties of water under confinement: infrared spectra. Nano letters, 8(9), 2959-62. https://doi.org/10.1021/nl8018643
Sharma, Manu, et al. "Probing properties of water under confinement: infrared spectra." Nano letters vol. 8,9 (2008): 2959-62. doi: https://doi.org/10.1021/nl8018643
Sharma M, Donadio D, Schwegler E, Galli G. Probing properties of water under confinement: infrared spectra. Nano Lett. 2008 Sep;8(9):2959-62. doi: 10.1021/nl8018643. Epub 2008 Aug 05. PMID: 18680386.
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Monte carlo adaptive resolution simulation of multicomponent molecular liquids.

Physical review letters

Potestio R, Español P, Delgado-Buscalioni R, Everaers R, Kremer K, Donadio D.
PMID: 23971545
Phys Rev Lett. 2013 Aug 09;111(6):060601. doi: 10.1103/PhysRevLett.111.060601. Epub 2013 Aug 08.

Complex soft matter systems can be efficiently studied with the help of adaptive resolution simulation methods, concurrently employing two levels of resolution in different regions of the simulation domain. The nonmatching properties of high- and low-resolution models, however, lead...

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Potestio R, Español P, Delgado-Buscalioni R, et al. Monte carlo adaptive resolution simulation of multicomponent molecular liquids. Phys Rev Lett. 2013;111(6):060601doi: 10.1103/PhysRevLett.111.060601.
Potestio, R., Español, P., Delgado-Buscalioni, R., Everaers, R., Kremer, K., & Donadio, D. (2013). Monte carlo adaptive resolution simulation of multicomponent molecular liquids. Physical review letters, 111(6), 060601. https://doi.org/10.1103/PhysRevLett.111.060601
Potestio, Raffaello, et al. "Monte carlo adaptive resolution simulation of multicomponent molecular liquids." Physical review letters vol. 111,6 (2013): 060601. doi: https://doi.org/10.1103/PhysRevLett.111.060601
Potestio R, Español P, Delgado-Buscalioni R, Everaers R, Kremer K, Donadio D. Monte carlo adaptive resolution simulation of multicomponent molecular liquids. Phys Rev Lett. 2013 Aug 09;111(6):060601. doi: 10.1103/PhysRevLett.111.060601. Epub 2013 Aug 08. PMID: 23971545.
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Theoretical investigation of methane under pressure.

The Journal of chemical physics

Spanu L, Donadio D, Hohl D, Galli G.
PMID: 19405607
J Chem Phys. 2009 Apr 28;130(16):164520. doi: 10.1063/1.3120487.

We present computer simulations of liquid and solid phases of condensed methane at pressures below 25 GPa, between 150 and 300 K, where no appreciable molecular dissociation occurs. We used molecular dynamics (MD) and metadynamics techniques and empirical potentials...

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Spanu L, Donadio D, Hohl D, et al. Theoretical investigation of methane under pressure. J Chem Phys. 2009;130(16):164520doi: 10.1063/1.3120487.
Spanu, L., Donadio, D., Hohl, D., & Galli, G. (2009). Theoretical investigation of methane under pressure. The Journal of chemical physics, 130(16), 164520. https://doi.org/10.1063/1.3120487
Spanu, Leonardo, et al. "Theoretical investigation of methane under pressure." The Journal of chemical physics vol. 130,16 (2009): 164520. doi: https://doi.org/10.1063/1.3120487
Spanu L, Donadio D, Hohl D, Galli G. Theoretical investigation of methane under pressure. J Chem Phys. 2009 Apr 28;130(16):164520. doi: 10.1063/1.3120487. PMID: 19405607.
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Morphology and temperature dependence of the thermal conductivity of nanoporous SiGe.

Nano letters

He Y, Donadio D, Galli G.
PMID: 21859096
Nano Lett. 2011 Sep 14;11(9):3608-11. doi: 10.1021/nl201359q. Epub 2011 Aug 26.

Using molecular dynamics simulations, we show that the thermal conductivity (κ) of Si(0.5)Ge(0.5) can be reduced by more than one order of magnitude by etching nanometer-sized holes in the material, and it becomes almost constant as a function of...

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He Y, Donadio D, Galli G. Morphology and temperature dependence of the thermal conductivity of nanoporous SiGe. Nano Lett. 2011;11(9):3608-11doi: 10.1021/nl201359q.
He, Y., Donadio, D., & Galli, G. (2011). Morphology and temperature dependence of the thermal conductivity of nanoporous SiGe. Nano letters, 11(9), 3608-11. https://doi.org/10.1021/nl201359q
He, Yuping, et al. "Morphology and temperature dependence of the thermal conductivity of nanoporous SiGe." Nano letters vol. 11,9 (2011): 3608-11. doi: https://doi.org/10.1021/nl201359q
He Y, Donadio D, Galli G. Morphology and temperature dependence of the thermal conductivity of nanoporous SiGe. Nano Lett. 2011 Sep 14;11(9):3608-11. doi: 10.1021/nl201359q. Epub 2011 Aug 26. PMID: 21859096.
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Showing 1 to 12 of 209 entries