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An atomic orbital-based formulation of the complete active space self-consistent field method on graphical processing units.

The Journal of chemical physics

Hohenstein EG, Luehr N, Ufimtsev IS, Martínez TJ.
PMID: 26071697
J Chem Phys. 2015 Jun 14;142(22):224103. doi: 10.1063/1.4921956.

Despite its importance, state-of-the-art algorithms for performing complete active space self-consistent field (CASSCF) computations have lagged far behind those for single reference methods. We develop an algorithm for the CASSCF orbital optimization that uses sparsity in the atomic orbital...

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Hohenstein EG, Luehr N, Ufimtsev IS, et al. An atomic orbital-based formulation of the complete active space self-consistent field method on graphical processing units. J Chem Phys. 2015;142(22):224103doi: 10.1063/1.4921956.
Hohenstein, E. G., Luehr, N., Ufimtsev, I. S., & Martínez, T. J. (2015). An atomic orbital-based formulation of the complete active space self-consistent field method on graphical processing units. The Journal of chemical physics, 142(22), 224103. https://doi.org/10.1063/1.4921956
Hohenstein, Edward G, et al. "An atomic orbital-based formulation of the complete active space self-consistent field method on graphical processing units." The Journal of chemical physics vol. 142,22 (2015): 224103. doi: https://doi.org/10.1063/1.4921956
Hohenstein EG, Luehr N, Ufimtsev IS, Martínez TJ. An atomic orbital-based formulation of the complete active space self-consistent field method on graphical processing units. J Chem Phys. 2015 Jun 14;142(22):224103. doi: 10.1063/1.4921956. PMID: 26071697.
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Accurate Interaction Energies for Problematic Dispersion-Bound Complexes: Homogeneous Dimers of NCCN, P2, and PCCP.

Journal of chemical theory and computation

Hohenstein EG, Jaeger HM, Carrell EJ, Tschumper GS, Sherrill CD.
PMID: 26605475
J Chem Theory Comput. 2011 Sep 13;7(9):2842-51. doi: 10.1021/ct200374m. Epub 2011 Aug 09.

All intermolecular interactions involve London dispersion forces. The accurate treatment of dispersion is essential for the computation of realistic interaction potentials. In general, the most reliable method for computing intermolecular interactions is coupled-cluster singles and doubles with perturbative triples...

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Hohenstein EG, Jaeger HM, Carrell EJ, et al. Accurate Interaction Energies for Problematic Dispersion-Bound Complexes: Homogeneous Dimers of NCCN, P2, and PCCP. J Chem Theory Comput. 2011;7(9):2842-51doi: 10.1021/ct200374m.
Hohenstein, E. G., Jaeger, H. M., Carrell, E. J., Tschumper, G. S., & Sherrill, C. D. (2011). Accurate Interaction Energies for Problematic Dispersion-Bound Complexes: Homogeneous Dimers of NCCN, P2, and PCCP. Journal of chemical theory and computation, 7(9), 2842-51. https://doi.org/10.1021/ct200374m
Hohenstein, Edward G, et al. "Accurate Interaction Energies for Problematic Dispersion-Bound Complexes: Homogeneous Dimers of NCCN, P2, and PCCP." Journal of chemical theory and computation vol. 7,9 (2011): 2842-51. doi: https://doi.org/10.1021/ct200374m
Hohenstein EG, Jaeger HM, Carrell EJ, Tschumper GS, Sherrill CD. Accurate Interaction Energies for Problematic Dispersion-Bound Complexes: Homogeneous Dimers of NCCN, P2, and PCCP. J Chem Theory Comput. 2011 Sep 13;7(9):2842-51. doi: 10.1021/ct200374m. Epub 2011 Aug 09. PMID: 26605475.
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Successful stent implantation for superior vena cava injury during transvenous lead extraction.

HeartRhythm case reports

Lou X, Brunner MP, Wilkoff BL, Martin DO, Clair DG, Soltesz EG.
PMID: 28491594
HeartRhythm Case Rep. 2015 Sep 09;1(6):394-396. doi: 10.1016/j.hrcr.2014.12.015. eCollection 2015 Nov.

No abstract available.

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Lou X, Brunner MP, Wilkoff BL, et al. Successful stent implantation for superior vena cava injury during transvenous lead extraction. HeartRhythm Case Rep. 2015;1(6):394-396doi: 10.1016/j.hrcr.2014.12.015.
Lou, X., Brunner, M. P., Wilkoff, B. L., Martin, D. O., Clair, D. G., & Soltesz, E. G. (2015). Successful stent implantation for superior vena cava injury during transvenous lead extraction. HeartRhythm case reports, 1(6), 394-396. https://doi.org/10.1016/j.hrcr.2014.12.015
Lou, Xiaoying, et al. "Successful stent implantation for superior vena cava injury during transvenous lead extraction." HeartRhythm case reports vol. 1,6 (2015): 394-396. doi: https://doi.org/10.1016/j.hrcr.2014.12.015
Lou X, Brunner MP, Wilkoff BL, Martin DO, Clair DG, Soltesz EG. Successful stent implantation for superior vena cava injury during transvenous lead extraction. HeartRhythm Case Rep. 2015 Sep 09;1(6):394-396. doi: 10.1016/j.hrcr.2014.12.015. eCollection 2015 Nov. PMID: 28491594; PMCID: PMC5419697.
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LAGOS-NE: a multi-scaled geospatial and temporal database of lake ecological context and water quality for thousands of US lakes.

GigaScience

Soranno PA, Bacon LC, Beauchene M, Bednar KE, Bissell EG, Boudreau CK, Boyer MG, Bremigan MT, Carpenter SR, Carr JW, Cheruvelil KS, Christel ST, Claucherty M, Collins SM, Conroy JD, Downing JA, Dukett J, Fergus CE, Filstrup CT, Funk C, Gonzalez MJ, Green LT, Gries C, Halfman JD, Hamilton SK, Hanson PC, Henry EN, Herron EM, Hockings C, Jackson JR, Jacobson-Hedin K, Janus LL, Jones WW, Jones JR, Keson CM, King KBS, Kishbaugh SA, Lapierre JF, Lathrop B, Latimore JA, Lee Y, Lottig NR, Lynch JA, Matthews LJ, McDowell WH, Moore KEB, Neff BP, Nelson SJ, Oliver SK, Pace ML, Pierson DC, Poisson AC, Pollard AI, Post DM, Reyes PO, Rosenberry DO, Roy KM, Rudstam LG, Sarnelle O, Schuldt NJ, Scott CE, Skaff NK, Smith NJ, Spinelli NR, Stachelek JJ, Stanley EH, Stoddard JL, Stopyak SB, Stow CA, Tallant JM, Tan PN, Thorpe AP, Vanni MJ, Wagner T, Watkins G, Weathers KC, Webster KE, White JD, Wilmes MK, Yuan S.
PMID: 29053868
Gigascience. 2017 Dec 01;6(12):1-22. doi: 10.1093/gigascience/gix101.

Understanding the factors that affect water quality and the ecological services provided by freshwater ecosystems is an urgent global environmental issue. Predicting how water quality will respond to global changes not only requires water quality data, but also information...

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Soranno PA, Bacon LC, Beauchene M, et al. LAGOS-NE: a multi-scaled geospatial and temporal database of lake ecological context and water quality for thousands of US lakes. Gigascience. 2017;6(12):1-22doi: 10.1093/gigascience/gix101.
Soranno, P. A., Bacon, L. C., Beauchene, M., Bednar, K. E., Bissell, E. G., Boudreau, C. K., Boyer, M. G., Bremigan, M. T., Carpenter, S. R., Carr, J. W., Cheruvelil, K. S., Christel, S. T., Claucherty, M., Collins, S. M., Conroy, J. D., Downing, J. A., Dukett, J., Fergus, C. E., Filstrup, C. T., Funk, C., Gonzalez, M. J., Green, L. T., Gries, C., Halfman, J. D., Hamilton, S. K., Hanson, P. C., Henry, E. N., Herron, E. M., Hockings, C., Jackson, J. R., Jacobson-Hedin, K., Janus, L. L., Jones, W. W., Jones, J. R., Keson, C. M., King, K. B. S., Kishbaugh, S. A., Lapierre, J. F., Lathrop, B., Latimore, J. A., Lee, Y., Lottig, N. R., Lynch, J. A., Matthews, L. J., McDowell, W. H., Moore, K. E. B., Neff, B. P., Nelson, S. J., Oliver, S. K., Pace, M. L., Pierson, D. C., Poisson, A. C., Pollard, A. I., Post, D. M., Reyes, P. O., Rosenberry, D. O., Roy, K. M., Rudstam, L. G., Sarnelle, O., Schuldt, N. J., Scott, C. E., Skaff, N. K., Smith, N. J., Spinelli, N. R., Stachelek, J. J., Stanley, E. H., Stoddard, J. L., Stopyak, S. B., Stow, C. A., Tallant, J. M., Tan, P. N., Thorpe, A. P., Vanni, M. J., Wagner, T., Watkins, G., Weathers, K. C., Webster, K. E., White, J. D., Wilmes, M. K., & Yuan, S. (2017). LAGOS-NE: a multi-scaled geospatial and temporal database of lake ecological context and water quality for thousands of US lakes. GigaScience, 6(12), 1-22. https://doi.org/10.1093/gigascience/gix101
Soranno, Patricia A, et al. "LAGOS-NE: a multi-scaled geospatial and temporal database of lake ecological context and water quality for thousands of US lakes." GigaScience vol. 6,12 (2017): 1-22. doi: https://doi.org/10.1093/gigascience/gix101
Soranno PA, Bacon LC, Beauchene M, Bednar KE, Bissell EG, Boudreau CK, Boyer MG, Bremigan MT, Carpenter SR, Carr JW, Cheruvelil KS, Christel ST, Claucherty M, Collins SM, Conroy JD, Downing JA, Dukett J, Fergus CE, Filstrup CT, Funk C, Gonzalez MJ, Green LT, Gries C, Halfman JD, Hamilton SK, Hanson PC, Henry EN, Herron EM, Hockings C, Jackson JR, Jacobson-Hedin K, Janus LL, Jones WW, Jones JR, Keson CM, King KBS, Kishbaugh SA, Lapierre JF, Lathrop B, Latimore JA, Lee Y, Lottig NR, Lynch JA, Matthews LJ, McDowell WH, Moore KEB, Neff BP, Nelson SJ, Oliver SK, Pace ML, Pierson DC, Poisson AC, Pollard AI, Post DM, Reyes PO, Rosenberry DO, Roy KM, Rudstam LG, Sarnelle O, Schuldt NJ, Scott CE, Skaff NK, Smith NJ, Spinelli NR, Stachelek JJ, Stanley EH, Stoddard JL, Stopyak SB, Stow CA, Tallant JM, Tan PN, Thorpe AP, Vanni MJ, Wagner T, Watkins G, Weathers KC, Webster KE, White JD, Wilmes MK, Yuan S. LAGOS-NE: a multi-scaled geospatial and temporal database of lake ecological context and water quality for thousands of US lakes. Gigascience. 2017 Dec 01;6(12):1-22. doi: 10.1093/gigascience/gix101. PMID: 29053868; PMCID: PMC5721373.
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A specialist team of A&E doctors and nurses establish emergency care units in Kosovo.

Emergency nurse : the journal of the RCN Accident and Emergency Nursing Association

Hodgetts LC, Kenward G.
PMID: 27710026
Emerg Nurse. 2000 Feb 01;7(9):10-15. doi: 10.7748/en.7.9.10.s8.

On June 12, 1999 NATO troops led by British paratroopers of 5 Airborne Brigade entered Kosovo and secured key military sites. This multinational operation (code named 'OP AGRICOLA') was in response to the ethnic cleansing of Kosovo-Albanians, and followed...

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Hodgetts LC, Kenward G. A specialist team of A&E doctors and nurses establish emergency care units in Kosovo. Emerg Nurse. 2000;7(9):10-15doi: 10.7748/en.7.9.10.s8.
Hodgetts, L. C., & Kenward, G. (2000). A specialist team of A&E doctors and nurses establish emergency care units in Kosovo. Emergency nurse : the journal of the RCN Accident and Emergency Nursing Association, 7(9), 10-15. https://doi.org/10.7748/en.7.9.10.s8
Hodgetts, Lieutenant Colonel Tim, and Kenward, Gary. "A specialist team of A&E doctors and nurses establish emergency care units in Kosovo." Emergency nurse : the journal of the RCN Accident and Emergency Nursing Association vol. 7,9 (2000): 10-15. doi: https://doi.org/10.7748/en.7.9.10.s8
Hodgetts LC, Kenward G. A specialist team of A&E doctors and nurses establish emergency care units in Kosovo. Emerg Nurse. 2000 Feb 01;7(9):10-15. doi: 10.7748/en.7.9.10.s8. PMID: 27710026.
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STRAINS OF NEUROSPORA COLLECTED FROM NATURE.

Evolution; international journal of organic evolution

Perkins DD, Turner BC, Barry EG.
PMID: 28563048
Evolution. 1976 Jun;30(2):281-313. doi: 10.1111/j.1558-5646.1976.tb00910.x.

No abstract available.

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Perkins DD, Turner BC, Barry EG. STRAINS OF NEUROSPORA COLLECTED FROM NATURE. Evolution. 1976;30(2):281-313doi: 10.1111/j.1558-5646.1976.tb00910.x.
Perkins, D. D., Turner, B. C., & Barry, E. G. (1976). STRAINS OF NEUROSPORA COLLECTED FROM NATURE. Evolution; international journal of organic evolution, 30(2), 281-313. https://doi.org/10.1111/j.1558-5646.1976.tb00910.x
Perkins, David D, et al. "STRAINS OF NEUROSPORA COLLECTED FROM NATURE." Evolution; international journal of organic evolution vol. 30,2 (1976): 281-313. doi: https://doi.org/10.1111/j.1558-5646.1976.tb00910.x
Perkins DD, Turner BC, Barry EG. STRAINS OF NEUROSPORA COLLECTED FROM NATURE. Evolution. 1976 Jun;30(2):281-313. doi: 10.1111/j.1558-5646.1976.tb00910.x. PMID: 28563048.
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Automated segmentation of geographic atrophy in fundus autofluorescence images using supervised pixel classification.

Journal of medical imaging (Bellingham, Wash.)

Hu Z, Medioni GG, Hernandez M, Sadda SR.
PMID: 26158084
J Med Imaging (Bellingham). 2015 Jan;2(1):014501. doi: 10.1117/1.JMI.2.1.014501. Epub 2015 Jan 12.

Geographic atrophy (GA) is a manifestation of the advanced or late stage of age-related macular degeneration (AMD). AMD is the leading cause of blindness in people over the age of 65 in the western world. The purpose of this...

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Hu Z, Medioni GG, Hernandez M, et al. Automated segmentation of geographic atrophy in fundus autofluorescence images using supervised pixel classification. J Med Imaging (Bellingham). 2015;2(1):014501doi: 10.1117/1.JMI.2.1.014501.
Hu, Z., Medioni, G. G., Hernandez, M., & Sadda, S. R. (2015). Automated segmentation of geographic atrophy in fundus autofluorescence images using supervised pixel classification. Journal of medical imaging (Bellingham, Wash.), 2(1), 014501. https://doi.org/10.1117/1.JMI.2.1.014501
Hu, Zhihong, et al. "Automated segmentation of geographic atrophy in fundus autofluorescence images using supervised pixel classification." Journal of medical imaging (Bellingham, Wash.) vol. 2,1 (2015): 014501. doi: https://doi.org/10.1117/1.JMI.2.1.014501
Hu Z, Medioni GG, Hernandez M, Sadda SR. Automated segmentation of geographic atrophy in fundus autofluorescence images using supervised pixel classification. J Med Imaging (Bellingham). 2015 Jan;2(1):014501. doi: 10.1117/1.JMI.2.1.014501. Epub 2015 Jan 12. PMID: 26158084; PMCID: PMC4478845.
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Communication: Acceleration of coupled cluster singles and doubles via orbital-weighted least-squares tensor hypercontraction.

The Journal of chemical physics

Parrish RM, Sherrill CD, Hohenstein EG, Kokkila SI, Martínez TJ.
PMID: 24832246
J Chem Phys. 2014 May 14;140(18):181102. doi: 10.1063/1.4876016.

We apply orbital-weighted least-squares tensor hypercontraction decomposition of the electron repulsion integrals to accelerate the coupled cluster singles and doubles (CCSD) method. Using accurate and flexible low-rank factorizations of the electron repulsion integral tensor, we are able to reduce...

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Parrish RM, Sherrill CD, Hohenstein EG, et al. Communication: Acceleration of coupled cluster singles and doubles via orbital-weighted least-squares tensor hypercontraction. J Chem Phys. 2014;140(18):181102doi: 10.1063/1.4876016.
Parrish, R. M., Sherrill, C. D., Hohenstein, E. G., Kokkila, S. I., & Martínez, T. J. (2014). Communication: Acceleration of coupled cluster singles and doubles via orbital-weighted least-squares tensor hypercontraction. The Journal of chemical physics, 140(18), 181102. https://doi.org/10.1063/1.4876016
Parrish, Robert M, et al. "Communication: Acceleration of coupled cluster singles and doubles via orbital-weighted least-squares tensor hypercontraction." The Journal of chemical physics vol. 140,18 (2014): 181102. doi: https://doi.org/10.1063/1.4876016
Parrish RM, Sherrill CD, Hohenstein EG, Kokkila SI, Martínez TJ. Communication: Acceleration of coupled cluster singles and doubles via orbital-weighted least-squares tensor hypercontraction. J Chem Phys. 2014 May 14;140(18):181102. doi: 10.1063/1.4876016. PMID: 24832246.
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Antibiotic Resistance in Salmonella enterica Serovar Typhimurium Associates with CRISPR Sequence Type.

Antimicrobial agents and chemotherapy

DiMarzio M, Shariat N, Kariyawasam S, Barrangou R, Dudley EG.
PMID: 23796925
Antimicrob Agents Chemother. 2013 Sep;57(9):4282-4289. doi: 10.1128/AAC.00913-13. Epub 2013 Jun 24.

No abstract available.

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DiMarzio M, Shariat N, Kariyawasam S, et al. Antibiotic Resistance in Salmonella enterica Serovar Typhimurium Associates with CRISPR Sequence Type. Antimicrob Agents Chemother. 2013;57(9):4282-4289doi: 10.1128/AAC.00913-13.
DiMarzio, M., Shariat, N., Kariyawasam, S., Barrangou, R., & Dudley, E. G. (2013). Antibiotic Resistance in Salmonella enterica Serovar Typhimurium Associates with CRISPR Sequence Type. Antimicrobial agents and chemotherapy, 57(9), 4282-4289. https://doi.org/10.1128/AAC.00913-13
DiMarzio, Michael, et al. "Antibiotic Resistance in Salmonella enterica Serovar Typhimurium Associates with CRISPR Sequence Type." Antimicrobial agents and chemotherapy vol. 57,9 (2013): 4282-4289. doi: https://doi.org/10.1128/AAC.00913-13
DiMarzio M, Shariat N, Kariyawasam S, Barrangou R, Dudley EG. Antibiotic Resistance in Salmonella enterica Serovar Typhimurium Associates with CRISPR Sequence Type. Antimicrob Agents Chemother. 2013 Sep;57(9):4282-4289. doi: 10.1128/AAC.00913-13. Epub 2013 Jun 24. PMID: 23796925; PMCID: PMC3754329.
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Gabriel-Pierre Sourdille, 1901-1956.

Archives d'ophtalmologie et revue generale d'ophtalmologie

RENARD G.
PMID: 13412265
Arch Ophtalmol Rev Gen Ophtalmol. 1957 Jan-Feb;17(1):61-3.

No abstract available.

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RENARD G. Gabriel-Pierre Sourdille, 1901-1956 Gabriel-Pierre Sourdille, 1901-1956. Arch Ophtalmol Rev Gen Ophtalmol. 1957;17(1):61-3
RENARD, G. (1957). Gabriel-Pierre Sourdille, 1901-1956 Gabriel-Pierre Sourdille, 1901-1956. Archives d'ophtalmologie et revue generale d'ophtalmologie, 17(1), 61-3.
RENARD, G. "Gabriel-Pierre Sourdille, 1901-1956" Gabriel-Pierre Sourdille, 1901-1956. Archives d'ophtalmologie et revue generale d'ophtalmologie vol. 17,1 (1957): 61-3.
RENARD G. Gabriel-Pierre Sourdille, 1901-1956 Gabriel-Pierre Sourdille, 1901-1956. Arch Ophtalmol Rev Gen Ophtalmol. 1957 Jan-Feb;17(1):61-3. French. PMID: 13412265.
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Synthesis and structure of 2,5,8-triazido-s-heptazine: an energetic and luminescent precursor to nitrogen-rich carbon nitrides.

Journal of the American Chemical Society

Miller DR, Swenson DC, Gillan EG.
PMID: 15113204
J Am Chem Soc. 2004 May 05;126(17):5372-3. doi: 10.1021/ja048939y.

Derivatized s-triazine (C3N3) precursors have seen significant recent use in the production of carbon nitride materials. Larger polycyclic molecular precursors, such as those containing an s-heptazine core (C6N7 or tri-s-triazine), may improve stability and order in carbon nitride products....

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Miller DR, Swenson DC, Gillan EG. Synthesis and structure of 2,5,8-triazido-s-heptazine: an energetic and luminescent precursor to nitrogen-rich carbon nitrides. J Am Chem Soc. 2004;126(17):5372-3doi: 10.1021/ja048939y.
Miller, D. R., Swenson, D. C., & Gillan, E. G. (2004). Synthesis and structure of 2,5,8-triazido-s-heptazine: an energetic and luminescent precursor to nitrogen-rich carbon nitrides. Journal of the American Chemical Society, 126(17), 5372-3. https://doi.org/10.1021/ja048939y
Miller, Dale R, et al. "Synthesis and structure of 2,5,8-triazido-s-heptazine: an energetic and luminescent precursor to nitrogen-rich carbon nitrides." Journal of the American Chemical Society vol. 126,17 (2004): 5372-3. doi: https://doi.org/10.1021/ja048939y
Miller DR, Swenson DC, Gillan EG. Synthesis and structure of 2,5,8-triazido-s-heptazine: an energetic and luminescent precursor to nitrogen-rich carbon nitrides. J Am Chem Soc. 2004 May 05;126(17):5372-3. doi: 10.1021/ja048939y. PMID: 15113204.
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Neutron stars.

Science (New York, N.Y.)

Seward F.
PMID: 17789956
Science. 1993 Oct 15;262(5132):444-5. doi: 10.1126/science.262.5132.444.

No abstract available.

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Seward F. Neutron stars. Science. 1993;262(5132):444-5doi: 10.1126/science.262.5132.444.
Seward, F. (1993). Neutron stars. Science (New York, N.Y.), 262(5132), 444-5. https://doi.org/10.1126/science.262.5132.444
Seward, F. "Neutron stars." Science (New York, N.Y.) vol. 262,5132 (1993): 444-5. doi: https://doi.org/10.1126/science.262.5132.444
Seward F. Neutron stars. Science. 1993 Oct 15;262(5132):444-5. doi: 10.1126/science.262.5132.444. PMID: 17789956.
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