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A coarse-grain force field for RDX: Density dependent and energy conserving.

The Journal of chemical physics

Moore JD, Barnes BC, Izvekov S, Lísal M, Sellers MS, Taylor DE, Brennan JK.
PMID: 26979691
J Chem Phys. 2016 Mar 14;144(10):104501. doi: 10.1063/1.4942520.

We describe the development of a density-dependent transferable coarse-grain model of crystalline hexahydro-1,3,5-trinitro-s-triazine (RDX) that can be used with the energy conserving dissipative particle dynamics method. The model is an extension of a recently reported one-site model of RDX...

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Moore JD, Barnes BC, Izvekov S, et al. A coarse-grain force field for RDX: Density dependent and energy conserving. J Chem Phys. 2016;144(10):104501doi: 10.1063/1.4942520.
Moore, J. D., Barnes, B. C., Izvekov, S., Lísal, M., Sellers, M. S., Taylor, D. E., & Brennan, J. K. (2016). A coarse-grain force field for RDX: Density dependent and energy conserving. The Journal of chemical physics, 144(10), 104501. https://doi.org/10.1063/1.4942520
Moore, Joshua D, et al. "A coarse-grain force field for RDX: Density dependent and energy conserving." The Journal of chemical physics vol. 144,10 (2016): 104501. doi: https://doi.org/10.1063/1.4942520
Moore JD, Barnes BC, Izvekov S, Lísal M, Sellers MS, Taylor DE, Brennan JK. A coarse-grain force field for RDX: Density dependent and energy conserving. J Chem Phys. 2016 Mar 14;144(10):104501. doi: 10.1063/1.4942520. PMID: 26979691.
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Simple, Inexpensive Classroom Experiments for Understanding Basic Gas Laws and Properties of Gases.

Advances in physiology education

Collins HL, DiCarlo SE.
PMID: 29575906
Adv Physiol Educ. 2003 Dec;27(4):244. doi: 10.1152/advan.00032.2003.

As educators, we are continually designing new methods and procedures to enhance learning. During this process, good ideas are frequently generated and tested, but the extent of such activities may not be adequate for a full manuscript. Nonetheless, the...

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Collins HL, DiCarlo SE. Simple, Inexpensive Classroom Experiments for Understanding Basic Gas Laws and Properties of Gases. Adv Physiol Educ. 2003;27(4):244doi: 10.1152/advan.00032.2003.
Collins, H. L., & DiCarlo, S. E. (2003). Simple, Inexpensive Classroom Experiments for Understanding Basic Gas Laws and Properties of Gases. Advances in physiology education, 27(4), 244. https://doi.org/10.1152/advan.00032.2003
Collins, Heidi L, and DiCarlo, Stephen E. "Simple, Inexpensive Classroom Experiments for Understanding Basic Gas Laws and Properties of Gases." Advances in physiology education vol. 27,4 (2003): 244. doi: https://doi.org/10.1152/advan.00032.2003
Collins HL, DiCarlo SE. Simple, Inexpensive Classroom Experiments for Understanding Basic Gas Laws and Properties of Gases. Adv Physiol Educ. 2003 Dec;27(4):244. doi: 10.1152/advan.00032.2003. PMID: 29575906.
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ReNE: a cytoscape plugin for regulatory network enhancement.

PloS one

Politano G, Benso A, Savino A, Di Carlo S.
PMID: 25541727
PLoS One. 2014 Dec 26;9(12):e115585. doi: 10.1371/journal.pone.0115585. eCollection 2014.

One of the biggest challenges in the study of biological regulatory mechanisms is the integration, americanmodeling, and analysis of the complex interactions which take place in biological networks. Despite post transcriptional regulatory elements (i.e., miRNAs) are widely investigated in...

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Politano G, Benso A, Savino A, et al. ReNE: a cytoscape plugin for regulatory network enhancement. PLoS One. 2014;9(12):e115585doi: 10.1371/journal.pone.0115585.
Politano, G., Benso, A., Savino, A., & Di Carlo, S. (2014). ReNE: a cytoscape plugin for regulatory network enhancement. PloS one, 9(12), e115585. https://doi.org/10.1371/journal.pone.0115585
Politano, Gianfranco, et al. "ReNE: a cytoscape plugin for regulatory network enhancement." PloS one vol. 9,12 (2014): e115585. doi: https://doi.org/10.1371/journal.pone.0115585
Politano G, Benso A, Savino A, Di Carlo S. ReNE: a cytoscape plugin for regulatory network enhancement. PLoS One. 2014 Dec 26;9(12):e115585. doi: 10.1371/journal.pone.0115585. eCollection 2014. PMID: 25541727; PMCID: PMC4277354.
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Modeling The Impact Of A Digital Health Feedback System In Uncontrolled Hypertensive Patients.

Value in health : the journal of the International Society for Pharmacoeconomics and Outcomes Research

Kim YA, Virdhi N, Raja P, DiCarlo L.
PMID: 27201396
Value Health. 2014 Nov;17(7):A479. doi: 10.1016/j.jval.2014.08.1382. Epub 2014 Oct 26.

No abstract available.

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Kim YA, Virdhi N, Raja P, et al. Modeling The Impact Of A Digital Health Feedback System In Uncontrolled Hypertensive Patients. Value Health. 2014;17(7):A479doi: 10.1016/j.jval.2014.08.1382.
Kim, Y. A., Virdhi, N., Raja, P., & DiCarlo, L. (2014). Modeling The Impact Of A Digital Health Feedback System In Uncontrolled Hypertensive Patients. Value in health : the journal of the International Society for Pharmacoeconomics and Outcomes Research, 17(7), A479. https://doi.org/10.1016/j.jval.2014.08.1382
Kim, Y A, et al. "Modeling The Impact Of A Digital Health Feedback System In Uncontrolled Hypertensive Patients." Value in health : the journal of the International Society for Pharmacoeconomics and Outcomes Research vol. 17,7 (2014): A479. doi: https://doi.org/10.1016/j.jval.2014.08.1382
Kim YA, Virdhi N, Raja P, DiCarlo L. Modeling The Impact Of A Digital Health Feedback System In Uncontrolled Hypertensive Patients. Value Health. 2014 Nov;17(7):A479. doi: 10.1016/j.jval.2014.08.1382. Epub 2014 Oct 26. PMID: 27201396.
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Initialization by measurement of a superconducting quantum bit circuit.

Physical review letters

Ristè D, van Leeuwen JG, Ku HS, Lehnert KW, DiCarlo L.
PMID: 23006158
Phys Rev Lett. 2012 Aug 03;109(5):050507. doi: 10.1103/PhysRevLett.109.050507. Epub 2012 Aug 03.

We demonstrate initialization by joint measurement of two transmon qubits in 3D circuit quantum electrodynamics. Homodyne detection of cavity transmission is enhanced by Josephson parametric amplification to discriminate the two-qubit ground state from single-qubit excitations nondestructively and with 98.1%...

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Ristè D, van Leeuwen JG, Ku HS, et al. Initialization by measurement of a superconducting quantum bit circuit. Phys Rev Lett. 2012;109(5):050507doi: 10.1103/PhysRevLett.109.050507.
Ristè, D., van Leeuwen, J. G., Ku, H. S., Lehnert, K. W., & DiCarlo, L. (2012). Initialization by measurement of a superconducting quantum bit circuit. Physical review letters, 109(5), 050507. https://doi.org/10.1103/PhysRevLett.109.050507
Ristè, D, et al. "Initialization by measurement of a superconducting quantum bit circuit." Physical review letters vol. 109,5 (2012): 050507. doi: https://doi.org/10.1103/PhysRevLett.109.050507
Ristè D, van Leeuwen JG, Ku HS, Lehnert KW, DiCarlo L. Initialization by measurement of a superconducting quantum bit circuit. Phys Rev Lett. 2012 Aug 03;109(5):050507. doi: 10.1103/PhysRevLett.109.050507. Epub 2012 Aug 03. PMID: 23006158.
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Tunable noise cross correlations in a double quantum dot.

Physical review letters

McClure DT, Dicarlo L, Zhang Y, Engel HA, Marcus CM, Hanson MP, Gossard AC.
PMID: 17358883
Phys Rev Lett. 2007 Feb 02;98(5):056801. doi: 10.1103/PhysRevLett.98.056801. Epub 2007 Jan 29.

We report measurements of the cross correlation between temporal current fluctuations in two capacitively coupled quantum dots in the Coulomb blockade regime. The sign of the cross-spectral density is found to be tunable by gate voltage and source-drain bias....

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McClure DT, Dicarlo L, Zhang Y, et al. Tunable noise cross correlations in a double quantum dot. Phys Rev Lett. 2007;98(5):056801doi: 10.1103/PhysRevLett.98.056801.
McClure, D. T., Dicarlo, L., Zhang, Y., Engel, H. A., Marcus, C. M., Hanson, M. P., & Gossard, A. C. (2007). Tunable noise cross correlations in a double quantum dot. Physical review letters, 98(5), 056801. https://doi.org/10.1103/PhysRevLett.98.056801
McClure, D T, et al. "Tunable noise cross correlations in a double quantum dot." Physical review letters vol. 98,5 (2007): 056801. doi: https://doi.org/10.1103/PhysRevLett.98.056801
McClure DT, Dicarlo L, Zhang Y, Engel HA, Marcus CM, Hanson MP, Gossard AC. Tunable noise cross correlations in a double quantum dot. Phys Rev Lett. 2007 Feb 02;98(5):056801. doi: 10.1103/PhysRevLett.98.056801. Epub 2007 Jan 29. PMID: 17358883.
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Causes of anergy in the surgical patient and its relationship to postoperative sepsis.

Clinical nutrition (Edinburgh, Scotland)

Braga M, Baccari P, Cristallo M, Staudacher C, Ferrari G, Scaccabarozzi S, DiPalo S, DiCarlo V.
PMID: 16829466
Clin Nutr. 1984 Dec;3(4):231-5. doi: 10.1016/s0261-5614(84)80050-3.

Between June 1981 and June 1983 the delayed hypersensitivity response (DHR) was studied in 401 patients considered for major surgical procedure: 320 of these patients underwent surgery. The incidence of sepsis and postoperative mortality was higher in anergic and...

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Braga M, Baccari P, Cristallo M, et al. Causes of anergy in the surgical patient and its relationship to postoperative sepsis. Clin Nutr. 1984;3(4):231-5doi: 10.1016/s0261-5614(84)80050-3.
Braga, M., Baccari, P., Cristallo, M., Staudacher, C., Ferrari, G., Scaccabarozzi, S., DiPalo, S., & DiCarlo, V. (1984). Causes of anergy in the surgical patient and its relationship to postoperative sepsis. Clinical nutrition (Edinburgh, Scotland), 3(4), 231-5. https://doi.org/10.1016/s0261-5614(84)80050-3
Braga, M, et al. "Causes of anergy in the surgical patient and its relationship to postoperative sepsis." Clinical nutrition (Edinburgh, Scotland) vol. 3,4 (1984): 231-5. doi: https://doi.org/10.1016/s0261-5614(84)80050-3
Braga M, Baccari P, Cristallo M, Staudacher C, Ferrari G, Scaccabarozzi S, DiPalo S, DiCarlo V. Causes of anergy in the surgical patient and its relationship to postoperative sepsis. Clin Nutr. 1984 Dec;3(4):231-5. doi: 10.1016/s0261-5614(84)80050-3. PMID: 16829466.
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Intermolecular forces and molecular dynamics simulation of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) using symmetry adapted perturbation theory.

The journal of physical chemistry. A

Taylor DE.
PMID: 23565605
J Phys Chem A. 2013 Apr 25;117(16):3507-20. doi: 10.1021/jp4005289. Epub 2013 Apr 16.

The dimer potential energy surface (PES) of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) has been explored using symmetry adapted perturbation theory based on a Kohn-Sham density functional theory description of the monomers [SAPT(DFT)]. An intermolecular potential energy function was parametrized using a grid...

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Taylor DE. Intermolecular forces and molecular dynamics simulation of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) using symmetry adapted perturbation theory. J Phys Chem A. 2013;117(16):3507-20doi: 10.1021/jp4005289.
Taylor, D. E. (2013). Intermolecular forces and molecular dynamics simulation of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) using symmetry adapted perturbation theory. The journal of physical chemistry. A, 117(16), 3507-20. https://doi.org/10.1021/jp4005289
Taylor, DeCarlos E. "Intermolecular forces and molecular dynamics simulation of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) using symmetry adapted perturbation theory." The journal of physical chemistry. A vol. 117,16 (2013): 3507-20. doi: https://doi.org/10.1021/jp4005289
Taylor DE. Intermolecular forces and molecular dynamics simulation of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) using symmetry adapted perturbation theory. J Phys Chem A. 2013 Apr 25;117(16):3507-20. doi: 10.1021/jp4005289. Epub 2013 Apr 16. PMID: 23565605.
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Flexibility and resistance to cyclic fatigue of endodontic instruments made with different nickel-titanium alloys: a comparative test.

Annali di stomatologia

Pongione G, Pompa G, Milana V, Di Carlo S, Giansiracusa A, Nicolini E, De Angelis F.
PMID: 23386933
Ann Stomatol (Roma). 2012 Jul;3(3):119-22. Epub 2012 Jan 14.

AIM: A new manufacturing method aiming at to producing more flexible and resistant NiTi endodontic instruments has been recently developed (Hyflex, produced with CM wire). The purpose of the study was to determine whether this new manufacturing method produces...

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Pongione G, Pompa G, Milana V, et al. Flexibility and resistance to cyclic fatigue of endodontic instruments made with different nickel-titanium alloys: a comparative test. Ann Stomatol (Roma). 2012;3(3):119-22
Pongione, G., Pompa, G., Milana, V., Di Carlo, S., Giansiracusa, A., Nicolini, E., & De Angelis, F. (2012). Flexibility and resistance to cyclic fatigue of endodontic instruments made with different nickel-titanium alloys: a comparative test. Annali di stomatologia, 3(3), 119-22.
Pongione, Giancarlo, et al. "Flexibility and resistance to cyclic fatigue of endodontic instruments made with different nickel-titanium alloys: a comparative test." Annali di stomatologia vol. 3,3 (2012): 119-22.
Pongione G, Pompa G, Milana V, Di Carlo S, Giansiracusa A, Nicolini E, De Angelis F. Flexibility and resistance to cyclic fatigue of endodontic instruments made with different nickel-titanium alloys: a comparative test. Ann Stomatol (Roma). 2012 Jul;3(3):119-22. Epub 2012 Jan 14. PMID: 23386933; PMCID: PMC3555470.
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Control factors in removable complete dentures: from the articulation quintet to kinetic contact.

Annali di stomatologia

Pompa G, Giovannetti A, Gentile T, Di Carlo S.
PMID: 22238706
Ann Stomatol (Roma). 2010 Apr;1(2):14-9. Epub 2010 Dec 08.

Hanau's laws and the so-called articulation quintet have contributed greatly to the evolution of the prosthetic dentistry and have been further elaborated by various authors. The main aim of this study was to establish the stability of prosthetic plates...

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Pompa G, Giovannetti A, Gentile T, et al. Control factors in removable complete dentures: from the articulation quintet to kinetic contact. Ann Stomatol (Roma). 2010;1(2):14-9
Pompa, G., Giovannetti, A., Gentile, T., & Di Carlo, S. (2010). Control factors in removable complete dentures: from the articulation quintet to kinetic contact. Annali di stomatologia, 1(2), 14-9.
Pompa, Giorgio, et al. "Control factors in removable complete dentures: from the articulation quintet to kinetic contact." Annali di stomatologia vol. 1,2 (2010): 14-9.
Pompa G, Giovannetti A, Gentile T, Di Carlo S. Control factors in removable complete dentures: from the articulation quintet to kinetic contact. Ann Stomatol (Roma). 2010 Apr;1(2):14-9. Epub 2010 Dec 08. PMID: 22238706; PMCID: PMC3254368.
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Realization of three-qubit quantum error correction with superconducting circuits.

Nature

Reed MD, DiCarlo L, Nigg SE, Sun L, Frunzio L, Girvin SM, Schoelkopf RJ.
PMID: 22297844
Nature. 2012 Feb 01;482(7385):382-5. doi: 10.1038/nature10786.

Quantum computers could be used to solve certain problems exponentially faster than classical computers, but are challenging to build because of their increased susceptibility to errors. However, it is possible to detect and correct errors without destroying coherence, by...

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Reed MD, DiCarlo L, Nigg SE, et al. Realization of three-qubit quantum error correction with superconducting circuits. Nature. 2012;482(7385):382-5doi: 10.1038/nature10786.
Reed, M. D., DiCarlo, L., Nigg, S. E., Sun, L., Frunzio, L., Girvin, S. M., & Schoelkopf, R. J. (2012). Realization of three-qubit quantum error correction with superconducting circuits. Nature, 482(7385), 382-5. https://doi.org/10.1038/nature10786
Reed, M D, et al. "Realization of three-qubit quantum error correction with superconducting circuits." Nature vol. 482,7385 (2012): 382-5. doi: https://doi.org/10.1038/nature10786
Reed MD, DiCarlo L, Nigg SE, Sun L, Frunzio L, Girvin SM, Schoelkopf RJ. Realization of three-qubit quantum error correction with superconducting circuits. Nature. 2012 Feb 01;482(7385):382-5. doi: 10.1038/nature10786. PMID: 22297844.
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Deterministic entanglement of superconducting qubits by parity measurement and feedback.

Nature

Ristè D, Dukalski M, Watson CA, de Lange G, Tiggelman MJ, Blanter YM, Lehnert KW, Schouten RN, DiCarlo L.
PMID: 24132292
Nature. 2013 Oct 17;502(7471):350-4. doi: 10.1038/nature12513.

The stochastic evolution of quantum systems during measurement is arguably the most enigmatic feature of quantum mechanics. Measuring a quantum system typically steers it towards a classical state, destroying the coherence of an initial quantum superposition and the entanglement...

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Ristè D, Dukalski M, Watson CA, et al. Deterministic entanglement of superconducting qubits by parity measurement and feedback. Nature. 2013;502(7471):350-4doi: 10.1038/nature12513.
Ristè, D., Dukalski, M., Watson, C. A., de Lange, G., Tiggelman, M. J., Blanter, Y. M., Lehnert, K. W., Schouten, R. N., & DiCarlo, L. (2013). Deterministic entanglement of superconducting qubits by parity measurement and feedback. Nature, 502(7471), 350-4. https://doi.org/10.1038/nature12513
Ristè, D, et al. "Deterministic entanglement of superconducting qubits by parity measurement and feedback." Nature vol. 502,7471 (2013): 350-4. doi: https://doi.org/10.1038/nature12513
Ristè D, Dukalski M, Watson CA, de Lange G, Tiggelman MJ, Blanter YM, Lehnert KW, Schouten RN, DiCarlo L. Deterministic entanglement of superconducting qubits by parity measurement and feedback. Nature. 2013 Oct 17;502(7471):350-4. doi: 10.1038/nature12513. PMID: 24132292.
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Showing 1 to 12 of 268 entries