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Reexamination of the calculation of two-center, two-electron integrals over Slater-type orbitals. II. Neumann expansion of the exchange integrals.

Physical review. E, Statistical, nonlinear, and soft matter physics

Lesiuk M, Moszynski R.
PMID: 25615233
Phys Rev E Stat Nonlin Soft Matter Phys. 2014 Dec;90(6):063319. doi: 10.1103/PhysRevE.90.063319. Epub 2014 Dec 29.

In this paper we consider the calculation of two-center exchange integrals over Slater-type orbitals (STOs). We apply the Neumann expansion of the Coulomb interaction potential and consider calculation of all basic quantities which appear in the resulting expression. Analytical...

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Lesiuk M, Moszynski R. Reexamination of the calculation of two-center, two-electron integrals over Slater-type orbitals. II. Neumann expansion of the exchange integrals. Phys Rev E Stat Nonlin Soft Matter Phys. 2014;90(6):063319doi: 10.1103/PhysRevE.90.063319.
Lesiuk, M., & Moszynski, R. (2014). Reexamination of the calculation of two-center, two-electron integrals over Slater-type orbitals. II. Neumann expansion of the exchange integrals. Physical review. E, Statistical, nonlinear, and soft matter physics, 90(6), 063319. https://doi.org/10.1103/PhysRevE.90.063319
Lesiuk, Michał, and Moszynski, Robert. "Reexamination of the calculation of two-center, two-electron integrals over Slater-type orbitals. II. Neumann expansion of the exchange integrals." Physical review. E, Statistical, nonlinear, and soft matter physics vol. 90,6 (2014): 063319. doi: https://doi.org/10.1103/PhysRevE.90.063319
Lesiuk M, Moszynski R. Reexamination of the calculation of two-center, two-electron integrals over Slater-type orbitals. II. Neumann expansion of the exchange integrals. Phys Rev E Stat Nonlin Soft Matter Phys. 2014 Dec;90(6):063319. doi: 10.1103/PhysRevE.90.063319. Epub 2014 Dec 29. PMID: 25615233.
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Calculation of the molecular integrals with the range-separated correlation factor.

The Journal of chemical physics

Silkowski M, Lesiuk M, Moszynski R.
PMID: 25833560
J Chem Phys. 2015 Mar 28;142(12):124102. doi: 10.1063/1.4915272.

Explicitly correlated quantum chemical calculations require calculations of five types of two-electron integrals beyond the standard electron repulsion integrals. We present a novel scheme, which utilises general ideas of the McMurchie-Davidson technique, to compute these integrals when the so-called...

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Silkowski M, Lesiuk M, Moszynski R. Calculation of the molecular integrals with the range-separated correlation factor. J Chem Phys. 2015;142(12):124102doi: 10.1063/1.4915272.
Silkowski, M., Lesiuk, M., & Moszynski, R. (2015). Calculation of the molecular integrals with the range-separated correlation factor. The Journal of chemical physics, 142(12), 124102. https://doi.org/10.1063/1.4915272
Silkowski, Michał, et al. "Calculation of the molecular integrals with the range-separated correlation factor." The Journal of chemical physics vol. 142,12 (2015): 124102. doi: https://doi.org/10.1063/1.4915272
Silkowski M, Lesiuk M, Moszynski R. Calculation of the molecular integrals with the range-separated correlation factor. J Chem Phys. 2015 Mar 28;142(12):124102. doi: 10.1063/1.4915272. PMID: 25833560.
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Effect of hydrolysis on the phase evolution of water-based sol-gel hydroxyapatite and its application to bioactive coatings.

Journal of materials science. Materials in medicine

Liu DM, Troczynski T, Hakimi D.
PMID: 15348575
J Mater Sci Mater Med. 2002 Jul;13(7):657-65. doi: 10.1023/a:1015733624638.

In a previous report, we demonstrated a successful synthesis of crystalline hydroxyapatite (HA) through the use of a water-based sol-gel process. It was shown that the apatite can be obtained at temperatures generally below 400 degrees C, providing a...

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Liu DM, Troczynski T, Hakimi D. Effect of hydrolysis on the phase evolution of water-based sol-gel hydroxyapatite and its application to bioactive coatings. J Mater Sci Mater Med. 2002;13(7):657-65doi: 10.1023/a:1015733624638.
Liu, D. M., Troczynski, T., & Hakimi, D. (2002). Effect of hydrolysis on the phase evolution of water-based sol-gel hydroxyapatite and its application to bioactive coatings. Journal of materials science. Materials in medicine, 13(7), 657-65. https://doi.org/10.1023/a:1015733624638
Liu, D-M, et al. "Effect of hydrolysis on the phase evolution of water-based sol-gel hydroxyapatite and its application to bioactive coatings." Journal of materials science. Materials in medicine vol. 13,7 (2002): 657-65. doi: https://doi.org/10.1023/a:1015733624638
Liu DM, Troczynski T, Hakimi D. Effect of hydrolysis on the phase evolution of water-based sol-gel hydroxyapatite and its application to bioactive coatings. J Mater Sci Mater Med. 2002 Jul;13(7):657-65. doi: 10.1023/a:1015733624638. PMID: 15348575.
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Theory and practice of ubiquitous quantitative chemical analysis using conventional computer optical disk drives.

Applied optics

Potyrailo RA, Morris WG, Leach AM, Hassib L, Krishnan K, Surman C, Wroczynski R, Boyette S, Xiao C, Shrikhande P, Agree A, Cecconie T.
PMID: 17906730
Appl Opt. 2007 Oct 01;46(28):7007-17. doi: 10.1364/ao.46.007007.

We demonstrate a new attractive approach for ubiquitous quantitative chemical or biological sensing when analog signals are acquired from conventional optical disk drives, and these signals are used for quantitative detection of optical changes of sensing films deposited on...

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Potyrailo RA, Morris WG, Leach AM, et al. Theory and practice of ubiquitous quantitative chemical analysis using conventional computer optical disk drives. Appl Opt. 2007;46(28):7007-17doi: 10.1364/ao.46.007007.
Potyrailo, R. A., Morris, W. G., Leach, A. M., Hassib, L., Krishnan, K., Surman, C., Wroczynski, R., Boyette, S., Xiao, C., Shrikhande, P., Agree, A., & Cecconie, T. (2007). Theory and practice of ubiquitous quantitative chemical analysis using conventional computer optical disk drives. Applied optics, 46(28), 7007-17. https://doi.org/10.1364/ao.46.007007
Potyrailo, Radislav A, et al. "Theory and practice of ubiquitous quantitative chemical analysis using conventional computer optical disk drives." Applied optics vol. 46,28 (2007): 7007-17. doi: https://doi.org/10.1364/ao.46.007007
Potyrailo RA, Morris WG, Leach AM, Hassib L, Krishnan K, Surman C, Wroczynski R, Boyette S, Xiao C, Shrikhande P, Agree A, Cecconie T. Theory and practice of ubiquitous quantitative chemical analysis using conventional computer optical disk drives. Appl Opt. 2007 Oct 01;46(28):7007-17. doi: 10.1364/ao.46.007007. PMID: 17906730.
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Does contegra xenograft implantation evoke cellular immunity in children?.

Interactive cardiovascular and thoracic surgery

Wojtalik M, Mrowczynski W, Zeromski J, Bartkowski R.
PMID: 17670046
Interact Cardiovasc Thorac Surg. 2003 Sep;2(3):273-8. doi: 10.1016/S1569-9293(03)00058-6.

The aim of the study was to search for changes in subpopulations of peripheral blood lymphocytes and in their activation as the manifestation of cellular immunity against xenograft in recipients of bovine valved conduit used for right ventricle outflow...

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Wojtalik M, Mrowczynski W, Zeromski J, et al. Does contegra xenograft implantation evoke cellular immunity in children?. Interact Cardiovasc Thorac Surg. 2003;2(3):273-8doi: 10.1016/S1569-9293(03)00058-6.
Wojtalik, M., Mrowczynski, W., Zeromski, J., & Bartkowski, R. (2003). Does contegra xenograft implantation evoke cellular immunity in children?. Interactive cardiovascular and thoracic surgery, 2(3), 273-8. https://doi.org/10.1016/S1569-9293(03)00058-6
Wojtalik, Michal, et al. "Does contegra xenograft implantation evoke cellular immunity in children?." Interactive cardiovascular and thoracic surgery vol. 2,3 (2003): 273-8. doi: https://doi.org/10.1016/S1569-9293(03)00058-6
Wojtalik M, Mrowczynski W, Zeromski J, Bartkowski R. Does contegra xenograft implantation evoke cellular immunity in children?. Interact Cardiovasc Thorac Surg. 2003 Sep;2(3):273-8. doi: 10.1016/S1569-9293(03)00058-6. PMID: 17670046.
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Primary care nurse practitioner clinical education: challenges and opportunities.

The Nursing clinics of North America

Sroczynski M, Dunphy LM.
PMID: 23137599
Nurs Clin North Am. 2012 Dec;47(4):463-79. doi: 10.1016/j.cnur.2012.08.001.

The Institute of Medicine report and the passage of the Patient Protection and Affordable Care Act present significant opportunities for the nursing profession. As the largest group of primary care providers, nurse practitioners are the critical element in the...

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Sroczynski M, Dunphy LM. Primary care nurse practitioner clinical education: challenges and opportunities. Nurs Clin North Am. 2012;47(4):463-79doi: 10.1016/j.cnur.2012.08.001.
Sroczynski, M., & Dunphy, L. M. (2012). Primary care nurse practitioner clinical education: challenges and opportunities. The Nursing clinics of North America, 47(4), 463-79. https://doi.org/10.1016/j.cnur.2012.08.001
Sroczynski, Maureen, and Dunphy, Lynne M. "Primary care nurse practitioner clinical education: challenges and opportunities." The Nursing clinics of North America vol. 47,4 (2012): 463-79. doi: https://doi.org/10.1016/j.cnur.2012.08.001
Sroczynski M, Dunphy LM. Primary care nurse practitioner clinical education: challenges and opportunities. Nurs Clin North Am. 2012 Dec;47(4):463-79. doi: 10.1016/j.cnur.2012.08.001. PMID: 23137599.
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On the large interelectronic distance behavior of the correlation factor for explicitly correlated wave functions.

The Journal of chemical physics

Lesiuk M, Jeziorski B, Moszynski R.
PMID: 24116547
J Chem Phys. 2013 Oct 07;139(13):134102. doi: 10.1063/1.4822045.

In currently most popular explicitly correlated electronic structure theories, the dependence of the wave function on the interelectronic distance rij is built via the correlation factor f(r(ij)). While the short-distance behavior of this factor is well understood, little is...

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Lesiuk M, Jeziorski B, Moszynski R. On the large interelectronic distance behavior of the correlation factor for explicitly correlated wave functions. J Chem Phys. 2013;139(13):134102doi: 10.1063/1.4822045.
Lesiuk, M., Jeziorski, B., & Moszynski, R. (2013). On the large interelectronic distance behavior of the correlation factor for explicitly correlated wave functions. The Journal of chemical physics, 139(13), 134102. https://doi.org/10.1063/1.4822045
Lesiuk, Michał, et al. "On the large interelectronic distance behavior of the correlation factor for explicitly correlated wave functions." The Journal of chemical physics vol. 139,13 (2013): 134102. doi: https://doi.org/10.1063/1.4822045
Lesiuk M, Jeziorski B, Moszynski R. On the large interelectronic distance behavior of the correlation factor for explicitly correlated wave functions. J Chem Phys. 2013 Oct 07;139(13):134102. doi: 10.1063/1.4822045. PMID: 24116547.
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Transition properties from the Hermitian formulation of the coupled cluster polarization propagator.

The Journal of chemical physics

Tucholska AM, Modrzejewski M, Moszynski R.
PMID: 25273414
J Chem Phys. 2014 Sep 28;141(12):124109. doi: 10.1063/1.4896056.

Theory of one-electron transition density matrices has been formulated within the time-independent coupled cluster method for the polarization propagator [R. Moszynski, P. S. Żuchowski, and B. Jeziorski, Coll. Czech. Chem. Commun. 70, 1109 (2005)]. Working expressions have been obtained...

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Tucholska AM, Modrzejewski M, Moszynski R. Transition properties from the Hermitian formulation of the coupled cluster polarization propagator. J Chem Phys. 2014;141(12):124109doi: 10.1063/1.4896056.
Tucholska, A. M., Modrzejewski, M., & Moszynski, R. (2014). Transition properties from the Hermitian formulation of the coupled cluster polarization propagator. The Journal of chemical physics, 141(12), 124109. https://doi.org/10.1063/1.4896056
Tucholska, Aleksandra M, et al. "Transition properties from the Hermitian formulation of the coupled cluster polarization propagator." The Journal of chemical physics vol. 141,12 (2014): 124109. doi: https://doi.org/10.1063/1.4896056
Tucholska AM, Modrzejewski M, Moszynski R. Transition properties from the Hermitian formulation of the coupled cluster polarization propagator. J Chem Phys. 2014 Sep 28;141(12):124109. doi: 10.1063/1.4896056. PMID: 25273414.
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CD200fc enhances anti-tumoral immune response and inhibits visceral metastasis of breast carcinoma.

Oncotarget

Erin N, Tanrıöver G, Curry A, Akman M, Duymuş Ö, Gorczynski R.
PMID: 29721190
Oncotarget. 2018 Apr 10;9(27):19147-19158. doi: 10.18632/oncotarget.24931. eCollection 2018 Apr 10.

CD200 is a widely expressed cell surface glycoprotein that inhibits excessive inflammation in autoimmunity, transplantation, and viral infections. We previously observed that visceral metastasis of highly aggressive and inflammatory 4THM breast carcinoma cells was markedly decreased in CD200 transgenic...

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Erin N, Tanrıöver G, Curry A, et al. CD200fc enhances anti-tumoral immune response and inhibits visceral metastasis of breast carcinoma. Oncotarget. 2018;9(27):19147-19158doi: 10.18632/oncotarget.24931.
Erin, N., Tanrıöver, G., Curry, A., Akman, M., Duymuş, �. �., & Gorczynski, R. (2018). CD200fc enhances anti-tumoral immune response and inhibits visceral metastasis of breast carcinoma. Oncotarget, 9(27), 19147-19158. https://doi.org/10.18632/oncotarget.24931
Erin, Nuray, et al. "CD200fc enhances anti-tumoral immune response and inhibits visceral metastasis of breast carcinoma." Oncotarget vol. 9,27 (2018): 19147-19158. doi: https://doi.org/10.18632/oncotarget.24931
Erin N, Tanrıöver G, Curry A, Akman M, Duymuş Ö, Gorczynski R. CD200fc enhances anti-tumoral immune response and inhibits visceral metastasis of breast carcinoma. Oncotarget. 2018 Apr 10;9(27):19147-19158. doi: 10.18632/oncotarget.24931. eCollection 2018 Apr 10. PMID: 29721190; PMCID: PMC5922384.
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Effect of Sample Elevation in Radio Frequency Plasma Enhanced Chemical Vapor Deposition (RF PECVD) Reactor on Optical Properties and Deposition Rate of Silicon Nitride Thin Films.

Materials (Basel, Switzerland)

Śmietana M, Mroczyński R, Kwietniewski N.
PMID: 28788512
Materials (Basel). 2014 Feb 17;7(2):1249-1260. doi: 10.3390/ma7021249.

In this paper we investigate influence of radio frequency plasma enhanced chemical vapor deposition (RF PECVD) process parameters, which include gas flows, pressure and temperature, as well as a way of sample placement in the reactor, on optical properties...

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Śmietana M, Mroczyński R, Kwietniewski N. Effect of Sample Elevation in Radio Frequency Plasma Enhanced Chemical Vapor Deposition (RF PECVD) Reactor on Optical Properties and Deposition Rate of Silicon Nitride Thin Films. Materials (Basel). 2014;7(2):1249-1260doi: 10.3390/ma7021249.
Śmietana, M., Mroczyński, R., & Kwietniewski, N. (2014). Effect of Sample Elevation in Radio Frequency Plasma Enhanced Chemical Vapor Deposition (RF PECVD) Reactor on Optical Properties and Deposition Rate of Silicon Nitride Thin Films. Materials (Basel, Switzerland), 7(2), 1249-1260. https://doi.org/10.3390/ma7021249
Śmietana, Mateusz, et al. "Effect of Sample Elevation in Radio Frequency Plasma Enhanced Chemical Vapor Deposition (RF PECVD) Reactor on Optical Properties and Deposition Rate of Silicon Nitride Thin Films." Materials (Basel, Switzerland) vol. 7,2 (2014): 1249-1260. doi: https://doi.org/10.3390/ma7021249
Śmietana M, Mroczyński R, Kwietniewski N. Effect of Sample Elevation in Radio Frequency Plasma Enhanced Chemical Vapor Deposition (RF PECVD) Reactor on Optical Properties and Deposition Rate of Silicon Nitride Thin Films. Materials (Basel). 2014 Feb 17;7(2):1249-1260. doi: 10.3390/ma7021249. PMID: 28788512; PMCID: PMC5453107.
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Imaging the Renner-Teller effect using laser-induced electron diffraction.

Proceedings of the National Academy of Sciences of the United States of America

Amini K, Sclafani M, Steinle T, Le AT, Sanchez A, Müller C, Steinmetzer J, Yue L, Martínez Saavedra JR, Hemmer M, Lewenstein M, Moshammer R, Pfeifer T, Pullen MG, Ullrich J, Wolter B, Moszynski R, García de Abajo FJ, Lin CD, Gräfe S, Biegert J.
PMID: 30952783
Proc Natl Acad Sci U S A. 2019 Apr 23;116(17):8173-8177. doi: 10.1073/pnas.1817465116. Epub 2019 Apr 05.

Structural information on electronically excited neutral molecules can be indirectly retrieved, largely through pump-probe and rotational spectroscopy measurements with the aid of calculations. Here, we demonstrate the direct structural retrieval of neutral carbonyl disulfide (CS

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Amini K, Sclafani M, Steinle T, et al. Imaging the Renner-Teller effect using laser-induced electron diffraction. Proc Natl Acad Sci U S A. 2019;116(17):8173-8177doi: 10.1073/pnas.1817465116.
Amini, K., Sclafani, M., Steinle, T., Le, A. T., Sanchez, A., Müller, C., Steinmetzer, J., Yue, L., Martínez Saavedra, J. R., Hemmer, M., Lewenstein, M., Moshammer, R., Pfeifer, T., Pullen, M. G., Ullrich, J., Wolter, B., Moszynski, R., García de Abajo, F. J., Lin, C. D., Gräfe, S., & Biegert, J. (2019). Imaging the Renner-Teller effect using laser-induced electron diffraction. Proceedings of the National Academy of Sciences of the United States of America, 116(17), 8173-8177. https://doi.org/10.1073/pnas.1817465116
Amini, Kasra, et al. "Imaging the Renner-Teller effect using laser-induced electron diffraction." Proceedings of the National Academy of Sciences of the United States of America vol. 116,17 (2019): 8173-8177. doi: https://doi.org/10.1073/pnas.1817465116
Amini K, Sclafani M, Steinle T, Le AT, Sanchez A, Müller C, Steinmetzer J, Yue L, Martínez Saavedra JR, Hemmer M, Lewenstein M, Moshammer R, Pfeifer T, Pullen MG, Ullrich J, Wolter B, Moszynski R, García de Abajo FJ, Lin CD, Gräfe S, Biegert J. Imaging the Renner-Teller effect using laser-induced electron diffraction. Proc Natl Acad Sci U S A. 2019 Apr 23;116(17):8173-8177. doi: 10.1073/pnas.1817465116. Epub 2019 Apr 05. PMID: 30952783; PMCID: PMC6486720.
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Budget Impact Analysis of Cancer Screening: A Methodological Review.

Applied health economics and health policy

Jahn B, Todorovic J, Bundo M, Sroczynski G, Conrads-Frank A, Rochau U, Endel G, Wilbacher I, Malbaski N, Popper N, Chhatwal J, Greenberg D, Mauskopf J, Siebert U.
PMID: 31016686
Appl Health Econ Health Policy. 2019 Aug;17(4):493-511. doi: 10.1007/s40258-019-00475-6.

BACKGROUND: Budget impact analyses (BIAs) describe changes in intervention- and disease-related costs of new technologies. Evidence on the quality of BIAs for cancer screening is lacking.OBJECTIVES: We systematically reviewed the literature and methods to assess how closely BIA guidelines...

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Jahn B, Todorovic J, Bundo M, et al. Budget Impact Analysis of Cancer Screening: A Methodological Review. Appl Health Econ Health Policy. 2019;17(4):493-511doi: 10.1007/s40258-019-00475-6.
Jahn, B., Todorovic, J., Bundo, M., Sroczynski, G., Conrads-Frank, A., Rochau, U., Endel, G., Wilbacher, I., Malbaski, N., Popper, N., Chhatwal, J., Greenberg, D., Mauskopf, J., & Siebert, U. (2019). Budget Impact Analysis of Cancer Screening: A Methodological Review. Applied health economics and health policy, 17(4), 493-511. https://doi.org/10.1007/s40258-019-00475-6
Jahn, Beate, et al. "Budget Impact Analysis of Cancer Screening: A Methodological Review." Applied health economics and health policy vol. 17,4 (2019): 493-511. doi: https://doi.org/10.1007/s40258-019-00475-6
Jahn B, Todorovic J, Bundo M, Sroczynski G, Conrads-Frank A, Rochau U, Endel G, Wilbacher I, Malbaski N, Popper N, Chhatwal J, Greenberg D, Mauskopf J, Siebert U. Budget Impact Analysis of Cancer Screening: A Methodological Review. Appl Health Econ Health Policy. 2019 Aug;17(4):493-511. doi: 10.1007/s40258-019-00475-6. PMID: 31016686.
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Showing 1 to 12 of 89 entries