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Robust molecular representations for modelling and design derived from atomic partial charges.

Chemical communications (Cambridge, England)

Finkelmann AR, Göller AH, Schneider G.
PMID: 26568131
Chem Commun (Camb). 2016 Jan 14;52(4):681-4. doi: 10.1039/c5cc07887c.

Ab initio derived atomic partial charges offer a simple, yet informative representation of the molecular electron density. We demonstrate the potential of different partial charge schemes for molecular descriptor construction. NPA and CM5 charges turned out to be largely...

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Finkelmann AR, Göller AH, Schneider G. Robust molecular representations for modelling and design derived from atomic partial charges. Chem Commun (Camb). 2016;52(4):681-4doi: 10.1039/c5cc07887c.
Finkelmann, A. R., Göller, A. H., & Schneider, G. (2016). Robust molecular representations for modelling and design derived from atomic partial charges. Chemical communications (Cambridge, England), 52(4), 681-4. https://doi.org/10.1039/c5cc07887c
Finkelmann, A R, et al. "Robust molecular representations for modelling and design derived from atomic partial charges." Chemical communications (Cambridge, England) vol. 52,4 (2016): 681-4. doi: https://doi.org/10.1039/c5cc07887c
Finkelmann AR, Göller AH, Schneider G. Robust molecular representations for modelling and design derived from atomic partial charges. Chem Commun (Camb). 2016 Jan 14;52(4):681-4. doi: 10.1039/c5cc07887c. PMID: 26568131.
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MAVEN observations of the response of Mars to an interplanetary coronal mass ejection.

Science (New York, N.Y.)

Jakosky BM, Grebowsky JM, Luhmann JG, Connerney J, Eparvier F, Ergun R, Halekas J, Larson D, Mahaffy P, McFadden J, Mitchell DF, Schneider N, Zurek R, Bougher S, Brain D, Ma YJ, Mazelle C, Andersson L, Andrews D, Baird D, Baker D, Bell JM, Benna M, Chaffin M, Chamberlin P, Chaufray YY, Clarke J, Collinson G, Combi M, Crary F, Cravens T, Crismani M, Curry S, Curtis D, Deighan J, Delory G, Dewey R, DiBraccio G, Dong C, Dong Y, Dunn P, Elrod M, England S, Eriksson A, Espley J, Evans S, Fang X, Fillingim M, Fortier K, Fowler CM, Fox J, Gröller H, Guzewich S, Hara T, Harada Y, Holsclaw G, Jain SK, Jolitz R, Leblanc F, Lee CO, Lee Y, Lefevre F, Lillis R, Livi R, Lo D, Mayyasi M, McClintock W, McEnulty T, Modolo R, Montmessin F, Morooka M, Nagy A, Olsen K, Peterson W, Rahmati A, Ruhunusiri S, Russell CT, Sakai S, Sauvaud JA, Seki K, Steckiewicz M, Stevens M, Stewart AI, Stiepen A, Stone S, Tenishev V, Thiemann E, Tolson R, Toublanc D, Vogt M, Weber T, Withers P, Woods T, Yelle R.
PMID: 26542576
Science. 2015 Nov 06;350(6261):aad0210. doi: 10.1126/science.aad0210.

Coupling between the lower and upper atmosphere, combined with loss of gas from the upper atmosphere to space, likely contributed to the thin, cold, dry atmosphere of modern Mars. To help understand ongoing ion loss to space, the Mars...

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Jakosky BM, Grebowsky JM, Luhmann JG, et al. MAVEN observations of the response of Mars to an interplanetary coronal mass ejection. Science. 2015;350(6261):aad0210doi: 10.1126/science.aad0210.
Jakosky, B. M., Grebowsky, J. M., Luhmann, J. G., Connerney, J., Eparvier, F., Ergun, R., Halekas, J., Larson, D., Mahaffy, P., McFadden, J., Mitchell, D. F., Schneider, N., Zurek, R., Bougher, S., Brain, D., Ma, Y. J., Mazelle, C., Andersson, L., Andrews, D., Baird, D., Baker, D., Bell, J. M., Benna, M., Chaffin, M., Chamberlin, P., Chaufray, Y. Y., Clarke, J., Collinson, G., Combi, M., Crary, F., Cravens, T., Crismani, M., Curry, S., Curtis, D., Deighan, J., Delory, G., Dewey, R., DiBraccio, G., Dong, C., Dong, Y., Dunn, P., Elrod, M., England, S., Eriksson, A., Espley, J., Evans, S., Fang, X., Fillingim, M., Fortier, K., Fowler, C. M., Fox, J., Gröller, H., Guzewich, S., Hara, T., Harada, Y., Holsclaw, G., Jain, S. K., Jolitz, R., Leblanc, F., Lee, C. O., Lee, Y., Lefevre, F., Lillis, R., Livi, R., Lo, D., Mayyasi, M., McClintock, W., McEnulty, T., Modolo, R., Montmessin, F., Morooka, M., Nagy, A., Olsen, K., Peterson, W., Rahmati, A., Ruhunusiri, S., Russell, C. T., Sakai, S., Sauvaud, J. A., Seki, K., Steckiewicz, M., Stevens, M., Stewart, A. I., Stiepen, A., Stone, S., Tenishev, V., Thiemann, E., Tolson, R., Toublanc, D., Vogt, M., Weber, T., Withers, P., Woods, T., & Yelle, R. (2015). MAVEN observations of the response of Mars to an interplanetary coronal mass ejection. Science (New York, N.Y.), 350(6261), aad0210. https://doi.org/10.1126/science.aad0210
Jakosky, B M, et al. "MAVEN observations of the response of Mars to an interplanetary coronal mass ejection." Science (New York, N.Y.) vol. 350,6261 (2015): aad0210. doi: https://doi.org/10.1126/science.aad0210
Jakosky BM, Grebowsky JM, Luhmann JG, Connerney J, Eparvier F, Ergun R, Halekas J, Larson D, Mahaffy P, McFadden J, Mitchell DF, Schneider N, Zurek R, Bougher S, Brain D, Ma YJ, Mazelle C, Andersson L, Andrews D, Baird D, Baker D, Bell JM, Benna M, Chaffin M, Chamberlin P, Chaufray YY, Clarke J, Collinson G, Combi M, Crary F, Cravens T, Crismani M, Curry S, Curtis D, Deighan J, Delory G, Dewey R, DiBraccio G, Dong C, Dong Y, Dunn P, Elrod M, England S, Eriksson A, Espley J, Evans S, Fang X, Fillingim M, Fortier K, Fowler CM, Fox J, Gröller H, Guzewich S, Hara T, Harada Y, Holsclaw G, Jain SK, Jolitz R, Leblanc F, Lee CO, Lee Y, Lefevre F, Lillis R, Livi R, Lo D, Mayyasi M, McClintock W, McEnulty T, Modolo R, Montmessin F, Morooka M, Nagy A, Olsen K, Peterson W, Rahmati A, Ruhunusiri S, Russell CT, Sakai S, Sauvaud JA, Seki K, Steckiewicz M, Stevens M, Stewart AI, Stiepen A, Stone S, Tenishev V, Thiemann E, Tolson R, Toublanc D, Vogt M, Weber T, Withers P, Woods T, Yelle R. MAVEN observations of the response of Mars to an interplanetary coronal mass ejection. Science. 2015 Nov 06;350(6261):aad0210. doi: 10.1126/science.aad0210. PMID: 26542576.
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[Bronchial asthma--radiofrequency ablation reduces asthma symptoms].

Pneumologie (Stuttgart, Germany)

Biller H.
PMID: 18004702
Pneumologie. 2007 Nov;61(11):685. doi: 10.1055/s-2007-998816.

No abstract available.

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Biller H. Asthma bronchiale--Radiofrequenzablation reduziert Asthmasymptomatik. [Bronchial asthma--radiofrequency ablation reduces asthma symptoms]. Pneumologie. 2007;61(11):685doi: 10.1055/s-2007-998816.
Biller, H. (2007). Asthma bronchiale--Radiofrequenzablation reduziert Asthmasymptomatik. [Bronchial asthma--radiofrequency ablation reduces asthma symptoms]. Pneumologie (Stuttgart, Germany), 61(11), 685. https://doi.org/10.1055/s-2007-998816
Biller, Heike. "Asthma bronchiale--Radiofrequenzablation reduziert Asthmasymptomatik." [Bronchial asthma--radiofrequency ablation reduces asthma symptoms]. Pneumologie (Stuttgart, Germany) vol. 61,11 (2007): 685. doi: https://doi.org/10.1055/s-2007-998816
Biller H. Asthma bronchiale--Radiofrequenzablation reduziert Asthmasymptomatik. [Bronchial asthma--radiofrequency ablation reduces asthma symptoms]. Pneumologie. 2007 Nov;61(11):685. doi: 10.1055/s-2007-998816. German. PMID: 18004702.
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Reduction of a larval herring population by jellyfish predator.

Science (New York, N.Y.)

Möller H.
PMID: 17838355
Science. 1984 May 11;224(4649):621-2. doi: 10.1126/science.224.4649.621.

The scyphomedusa Aurelia aurita consumes large amounts of yolk-sac herring larvae in Kiel Fjord. The decline of the larval herring population in late spring coincides with a major population growth of the jellyfish. The size of the larval herring...

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Möller H. Reduction of a larval herring population by jellyfish predator. Science. 1984;224(4649):621-2doi: 10.1126/science.224.4649.621.
Möller, H. (1984). Reduction of a larval herring population by jellyfish predator. Science (New York, N.Y.), 224(4649), 621-2. https://doi.org/10.1126/science.224.4649.621
Möller, H. "Reduction of a larval herring population by jellyfish predator." Science (New York, N.Y.) vol. 224,4649 (1984): 621-2. doi: https://doi.org/10.1126/science.224.4649.621
Möller H. Reduction of a larval herring population by jellyfish predator. Science. 1984 May 11;224(4649):621-2. doi: 10.1126/science.224.4649.621. PMID: 17838355.
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[Technics in operative treatment of congenital cardiac defects].

Langenbecks Archiv fur klinische Chirurgie ... vereinigt mit Deutsche Zeitschrift fur Chirurgie

LOEWENECK M, DOLLER H.
PMID: 14811481
Langenbecks Arch Klin Chir Ver Dtsch Z Chir. 1950;266(5):576-81.

No abstract available.

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LOEWENECK M, DOLLER H. Technisch Erfahrungen bei der operativen Behandlung angeborener Herzfehler. [Technics in operative treatment of congenital cardiac defects]. Langenbecks Arch Klin Chir Ver Dtsch Z Chir. 1950;266(5):576-81
LOEWENECK, M., & DOLLER, H. (1950). Technisch Erfahrungen bei der operativen Behandlung angeborener Herzfehler. [Technics in operative treatment of congenital cardiac defects]. Langenbecks Archiv fur klinische Chirurgie ... vereinigt mit Deutsche Zeitschrift fur Chirurgie, 266(5), 576-81.
LOEWENECK, M, and DOLLER, H. "Technisch Erfahrungen bei der operativen Behandlung angeborener Herzfehler." [Technics in operative treatment of congenital cardiac defects]. Langenbecks Archiv fur klinische Chirurgie ... vereinigt mit Deutsche Zeitschrift fur Chirurgie vol. 266,5 (1950): 576-81.
LOEWENECK M, DOLLER H. Technisch Erfahrungen bei der operativen Behandlung angeborener Herzfehler. [Technics in operative treatment of congenital cardiac defects]. Langenbecks Arch Klin Chir Ver Dtsch Z Chir. 1950;266(5):576-81. Undetermined. PMID: 14811481.
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Physiology and pathophysiology of eryptosis.

Transfusion medicine and hemotherapy : offizielles Organ der Deutschen Gesellschaft fur Transfusionsmedizin und Immunhamatologie

Lang F, Lang E, Föller M.
PMID: 23801921
Transfus Med Hemother. 2012 Oct;39(5):308-14. doi: 10.1159/000342534. Epub 2012 Sep 06.

SUMMARY: Suicidal erythrocyte death (eryptosis) is characterized by cell shrinkage, cell membrane blebbing, and cell membrane phospholipid scrambling with phosphatidylserine exposure at the cell surface. Eryptotic cells adhere to the vascular wall and are rapidly cleared from circulating blood....

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Lang F, Lang E, Föller M. Physiology and pathophysiology of eryptosis. Transfus Med Hemother. 2012;39(5):308-14doi: 10.1159/000342534.
Lang, F., Lang, E., & Föller, M. (2012). Physiology and pathophysiology of eryptosis. Transfusion medicine and hemotherapy : offizielles Organ der Deutschen Gesellschaft fur Transfusionsmedizin und Immunhamatologie, 39(5), 308-14. https://doi.org/10.1159/000342534
Lang, Florian, et al. "Physiology and pathophysiology of eryptosis." Transfusion medicine and hemotherapy : offizielles Organ der Deutschen Gesellschaft fur Transfusionsmedizin und Immunhamatologie vol. 39,5 (2012): 308-14. doi: https://doi.org/10.1159/000342534
Lang F, Lang E, Föller M. Physiology and pathophysiology of eryptosis. Transfus Med Hemother. 2012 Oct;39(5):308-14. doi: 10.1159/000342534. Epub 2012 Sep 06. PMID: 23801921; PMCID: PMC3678267.
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Endowashers: an overlooked risk for possible post-endoscopic infections.

GMS Krankenhaushygiene interdisziplinar

Hübner NO, Assadian O, Poldrack R, Duty O, Schwarzer H, Möller H, Kober P, Räther M, Schröder LW, Sinha J, Lerch MM, Kramer A.
PMID: 22242094
GMS Krankenhhyg Interdiszip. 2011;6(1):Doc13. doi: 10.3205/dgkh000170. Epub 2011 Dec 15.

BACKGROUND: Prevention of post-endoscopy infections is an important objective to assure patient safety. Endowashers, or high throughput irrigation water pumps, are a frequently used device on endoscopes. Recommendations published by professional bodies and regulatory health agencies cover not only...

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Hübner NO, Assadian O, Poldrack R, et al. Endowashers: an overlooked risk for possible post-endoscopic infections. GMS Krankenhhyg Interdiszip. 2011;6(1):Doc13doi: 10.3205/dgkh000170.
Hübner, N. O., Assadian, O., Poldrack, R., Duty, O., Schwarzer, H., Möller, H., Kober, P., Räther, M., Schröder, L. W., Sinha, J., Lerch, M. M., & Kramer, A. (2011). Endowashers: an overlooked risk for possible post-endoscopic infections. GMS Krankenhaushygiene interdisziplinar, 6(1), Doc13. https://doi.org/10.3205/dgkh000170
Hübner, Nils-Olaf, et al. "Endowashers: an overlooked risk for possible post-endoscopic infections." GMS Krankenhaushygiene interdisziplinar vol. 6,1 (2011): Doc13. doi: https://doi.org/10.3205/dgkh000170
Hübner NO, Assadian O, Poldrack R, Duty O, Schwarzer H, Möller H, Kober P, Räther M, Schröder LW, Sinha J, Lerch MM, Kramer A. Endowashers: an overlooked risk for possible post-endoscopic infections. GMS Krankenhhyg Interdiszip. 2011;6(1):Doc13. doi: 10.3205/dgkh000170. Epub 2011 Dec 15. PMID: 22242094; PMCID: PMC3252647.
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Triphenylphosphonioacetylide: A Species Isoelectronic with Isocyanides.

Angewandte Chemie (International ed. in English)

Bestmann HJ, Frank W, Moll C, Pohlschmidt A, Clark T, Göller A.
PMID: 29711265
Angew Chem Int Ed Engl. 1998 Feb 16;37(3):338-342. doi: 10.1002/(SICI)1521-3773(19980216)37:3<338::AID-ANIE338>3.0.CO;2-5.

Stabilized only by triphenylphosphane, the title compound 1 was synthesized and investigated theoretically (the HOMO of 1 is depicted on the right). Both calculations and experimental NMR spectra show that no Lewis structure can describe the geometry and charge...

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Bestmann HJ, Frank W, Moll C, et al. Triphenylphosphonioacetylide: A Species Isoelectronic with Isocyanides. Angew Chem Int Ed Engl. 1998;37(3):338-342doi: 10.1002/(SICI)1521-3773(19980216)37:3<338::AID-ANIE338>3.0.CO;2-5.
Bestmann, H. J., Frank, W., Moll, C., Pohlschmidt, A., Clark, T., & Göller, A. (1998). Triphenylphosphonioacetylide: A Species Isoelectronic with Isocyanides. Angewandte Chemie (International ed. in English), 37(3), 338-342. https://doi.org/10.1002/(SICI)1521-3773(19980216)37:3<338::AID-ANIE338>3.0.CO;2-5
Bestmann, Hans Jürgen, et al. "Triphenylphosphonioacetylide: A Species Isoelectronic with Isocyanides." Angewandte Chemie (International ed. in English) vol. 37,3 (1998): 338-342. doi: https://doi.org/10.1002/(SICI)1521-3773(19980216)37:3<338::AID-ANIE338>3.0.CO;2-5
Bestmann HJ, Frank W, Moll C, Pohlschmidt A, Clark T, Göller A. Triphenylphosphonioacetylide: A Species Isoelectronic with Isocyanides. Angew Chem Int Ed Engl. 1998 Feb 16;37(3):338-342. doi: 10.1002/(SICI)1521-3773(19980216)37:3<338::AID-ANIE338>3.0.CO;2-5. PMID: 29711265.
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[How effective are Balint group leaders?].

Zeitschrift fur Psychosomatische Medizin und Psychotherapie

Flatten G, Möller H, Tschuschke V.
PMID: 30774029
Z Psychosom Med Psychother. 2019 Feb;65(1):4-13. doi: 10.13109/zptm.2019.65.1.4.

How effective are Balint group leaders?OBJECTIVES: Balint leadership until today is based on views of experts. Empirical research is still lacking. This paper reports about leadership effects in Balint groups measured by the newly developed Balint Group Questionnaire (BGSQ)....

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Flatten G, Möller H, Tschuschke V. Wie wirksam sind Balintgruppen-Leiter? [How effective are Balint group leaders?]. Z Psychosom Med Psychother. 2019;65(1):4-13doi: 10.13109/zptm.2019.65.1.4.
Flatten, G., Möller, H., & Tschuschke, V. (2019). Wie wirksam sind Balintgruppen-Leiter? [How effective are Balint group leaders?]. Zeitschrift fur Psychosomatische Medizin und Psychotherapie, 65(1), 4-13. https://doi.org/10.13109/zptm.2019.65.1.4
Flatten, Guido, et al. "Wie wirksam sind Balintgruppen-Leiter?" [How effective are Balint group leaders?]. Zeitschrift fur Psychosomatische Medizin und Psychotherapie vol. 65,1 (2019): 4-13. doi: https://doi.org/10.13109/zptm.2019.65.1.4
Flatten G, Möller H, Tschuschke V. Wie wirksam sind Balintgruppen-Leiter? [How effective are Balint group leaders?]. Z Psychosom Med Psychother. 2019 Feb;65(1):4-13. doi: 10.13109/zptm.2019.65.1.4. German. PMID: 30774029.
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Rotationally Assisted Spin-State Inversion in Carbene-Metal-Amides Is an Artifact.

The journal of physical chemistry letters

Föller J, Marian CM.
PMID: 29110478
J Phys Chem Lett. 2017 Nov 16;8(22):5643-5647. doi: 10.1021/acs.jpclett.7b02701. Epub 2017 Nov 07.

High-level quantum chemical calculations, presented in this Letter, show that the unusual luminescence properties of the high-performance thermally activated delayed fluorescence emitter CMA1, observed recently by Di et al. [ Science 2017, 356, 159-163 ], can be explained without...

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Föller J, Marian CM. Rotationally Assisted Spin-State Inversion in Carbene-Metal-Amides Is an Artifact. J Phys Chem Lett. 2017;8(22):5643-5647doi: 10.1021/acs.jpclett.7b02701.
Föller, J., & Marian, C. M. (2017). Rotationally Assisted Spin-State Inversion in Carbene-Metal-Amides Is an Artifact. The journal of physical chemistry letters, 8(22), 5643-5647. https://doi.org/10.1021/acs.jpclett.7b02701
Föller, Jelena, and Marian, Christel M. "Rotationally Assisted Spin-State Inversion in Carbene-Metal-Amides Is an Artifact." The journal of physical chemistry letters vol. 8,22 (2017): 5643-5647. doi: https://doi.org/10.1021/acs.jpclett.7b02701
Föller J, Marian CM. Rotationally Assisted Spin-State Inversion in Carbene-Metal-Amides Is an Artifact. J Phys Chem Lett. 2017 Nov 16;8(22):5643-5647. doi: 10.1021/acs.jpclett.7b02701. Epub 2017 Nov 07. PMID: 29110478.
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Parameters for determination of Candida albicans virulence in murine peritonitis.

Mycoses

Kretschmar M, Bertsch T, Göller M, Schaller M, Hof H, Nichterlein T.
PMID: 29265610
Mycoses. 1999 Dec;42:19-24. doi: 10.1111/j.1439-0507.1999.tb00007.x.

Using intraperitoneal (i. p.) infection of mice with Candida albicans we determined which parameters might be useful for characterization of virulence in this model. Upon i. p. infection of mice with two reference strains striking differences in lethality were...

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Kretschmar M, Bertsch T, Göller M, et al. Parameters for determination of Candida albicans virulence in murine peritonitis. Mycoses. 1999;42:19-24doi: 10.1111/j.1439-0507.1999.tb00007.x.
Kretschmar, M., Bertsch, T., Göller, M., Schaller, M., Hof, H., & Nichterlein, T. (1999). Parameters for determination of Candida albicans virulence in murine peritonitis. Mycoses, 4219-24. https://doi.org/10.1111/j.1439-0507.1999.tb00007.x
Kretschmar, M, et al. "Parameters for determination of Candida albicans virulence in murine peritonitis." Mycoses vol. 42 (1999): 19-24. doi: https://doi.org/10.1111/j.1439-0507.1999.tb00007.x
Kretschmar M, Bertsch T, Göller M, Schaller M, Hof H, Nichterlein T. Parameters for determination of Candida albicans virulence in murine peritonitis. Mycoses. 1999 Dec;42:19-24. doi: 10.1111/j.1439-0507.1999.tb00007.x. PMID: 29265610.
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Barriers to lifestyle changes in people with diabetes.

The British journal of general practice : the journal of the Royal College of General Practitioners

Fuller H, Alberti H.
PMID: 28126861
Br J Gen Pract. 2017 Feb;67(655):61. doi: 10.3399/bjgp17X689005.

No abstract available.

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Fuller H, Alberti H. Barriers to lifestyle changes in people with diabetes. Br J Gen Pract. 2017;67(655):61doi: 10.3399/bjgp17X689005.
Fuller, H., & Alberti, H. (2017). Barriers to lifestyle changes in people with diabetes. The British journal of general practice : the journal of the Royal College of General Practitioners, 67(655), 61. https://doi.org/10.3399/bjgp17X689005
Fuller, Harley, and Alberti, Hugh. "Barriers to lifestyle changes in people with diabetes." The British journal of general practice : the journal of the Royal College of General Practitioners vol. 67,655 (2017): 61. doi: https://doi.org/10.3399/bjgp17X689005
Fuller H, Alberti H. Barriers to lifestyle changes in people with diabetes. Br J Gen Pract. 2017 Feb;67(655):61. doi: 10.3399/bjgp17X689005. PMID: 28126861; PMCID: PMC5308095.
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Showing 1 to 12 of 267 entries