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One-electron versus electron-electron interaction contributions to the spin-spin coupling mechanism in nuclear magnetic resonance spectroscopy: analysis of basic electronic effects.

The Journal of chemical physics

Gräfenstein J, Cremer D.
PMID: 15606240
J Chem Phys. 2004 Dec 22;121(24):12217-32. doi: 10.1063/1.1825993.

For the first time, the nuclear magnetic resonance (NMR) spin-spin coupling mechanism is decomposed into one-electron and electron-electron interaction contributions to demonstrate that spin-information transport between different orbitals is not exclusively an electron-exchange phenomenon. This is done using coupled...

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Gräfenstein J, Cremer D. One-electron versus electron-electron interaction contributions to the spin-spin coupling mechanism in nuclear magnetic resonance spectroscopy: analysis of basic electronic effects. J Chem Phys. 2004;121(24):12217-32doi: 10.1063/1.1825993.
Gräfenstein, J., & Cremer, D. (2004). One-electron versus electron-electron interaction contributions to the spin-spin coupling mechanism in nuclear magnetic resonance spectroscopy: analysis of basic electronic effects. The Journal of chemical physics, 121(24), 12217-32. https://doi.org/10.1063/1.1825993
Gräfenstein, Jürgen, and Cremer, Dieter. "One-electron versus electron-electron interaction contributions to the spin-spin coupling mechanism in nuclear magnetic resonance spectroscopy: analysis of basic electronic effects." The Journal of chemical physics vol. 121,24 (2004): 12217-32. doi: https://doi.org/10.1063/1.1825993
Gräfenstein J, Cremer D. One-electron versus electron-electron interaction contributions to the spin-spin coupling mechanism in nuclear magnetic resonance spectroscopy: analysis of basic electronic effects. J Chem Phys. 2004 Dec 22;121(24):12217-32. doi: 10.1063/1.1825993. PMID: 15606240.
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Connection between the regular approximation and the normalized elimination of the small component in relativistic quantum theory.

The Journal of chemical physics

Filatov M, Cremer D.
PMID: 15740364
J Chem Phys. 2005 Feb 08;122(6):064104. doi: 10.1063/1.1844298.

The regular approximation to the normalized elimination of the small component (NESC) in the modified Dirac equation has been developed and presented in matrix form. The matrix form of the infinite-order regular approximation (IORA) expressions, obtained in [Filatov and...

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Filatov M, Cremer D. Connection between the regular approximation and the normalized elimination of the small component in relativistic quantum theory. J Chem Phys. 2005;122(6):064104doi: 10.1063/1.1844298.
Filatov, M., & Cremer, D. (2005). Connection between the regular approximation and the normalized elimination of the small component in relativistic quantum theory. The Journal of chemical physics, 122(6), 064104. https://doi.org/10.1063/1.1844298
Filatov, Michael, and Cremer, Dieter. "Connection between the regular approximation and the normalized elimination of the small component in relativistic quantum theory." The Journal of chemical physics vol. 122,6 (2005): 064104. doi: https://doi.org/10.1063/1.1844298
Filatov M, Cremer D. Connection between the regular approximation and the normalized elimination of the small component in relativistic quantum theory. J Chem Phys. 2005 Feb 08;122(6):064104. doi: 10.1063/1.1844298. PMID: 15740364.
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Pushing the boundaries of 3D-QSAR.

Journal of computer-aided molecular design

Cramer RD, Wendt B.
PMID: 17253117
J Comput Aided Mol Des. 2007 Jan-Mar;21(1):23-32. doi: 10.1007/s10822-006-9100-0. Epub 2007 Jan 26.

Based primarily on further studies of a collection of eleven publications reporting fifteen successful 3D-QSAR relations, several phenomena are preliminarily described. The RMS error of 133 ligand binding energy predictions based on these successful 3D-QSARs is 0.75 kcal/mole, which...

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Cramer RD, Wendt B. Pushing the boundaries of 3D-QSAR. J Comput Aided Mol Des. 2007;21(1):23-32doi: 10.1007/s10822-006-9100-0.
Cramer, R. D., & Wendt, B. (2007). Pushing the boundaries of 3D-QSAR. Journal of computer-aided molecular design, 21(1), 23-32. https://doi.org/10.1007/s10822-006-9100-0
Cramer, Richard D, and Wendt, Bernd. "Pushing the boundaries of 3D-QSAR." Journal of computer-aided molecular design vol. 21,1 (2007): 23-32. doi: https://doi.org/10.1007/s10822-006-9100-0
Cramer RD, Wendt B. Pushing the boundaries of 3D-QSAR. J Comput Aided Mol Des. 2007 Jan-Mar;21(1):23-32. doi: 10.1007/s10822-006-9100-0. Epub 2007 Jan 26. PMID: 17253117.
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Unusual long-range spin-spin coupling in fluorinated polyenes: a mechanistic analysis.

The Journal of chemical physics

Gräfenstein J, Cremer D.
PMID: 17994839
J Chem Phys. 2007 Nov 07;127(17):174704. doi: 10.1063/1.2787001.

Nuclear magnetic resonance (NMR) is a prospective means to realize quantum computers. The performance of a NMR quantum computer depends sensitively on the properties of the NMR-active molecule used, where one requirement is a large indirect spin-spin coupling over...

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Gräfenstein J, Cremer D. Unusual long-range spin-spin coupling in fluorinated polyenes: a mechanistic analysis. J Chem Phys. 2007;127(17):174704doi: 10.1063/1.2787001.
Gräfenstein, J., & Cremer, D. (2007). Unusual long-range spin-spin coupling in fluorinated polyenes: a mechanistic analysis. The Journal of chemical physics, 127(17), 174704. https://doi.org/10.1063/1.2787001
Gräfenstein, Jürgen, and Cremer, Dieter. "Unusual long-range spin-spin coupling in fluorinated polyenes: a mechanistic analysis." The Journal of chemical physics vol. 127,17 (2007): 174704. doi: https://doi.org/10.1063/1.2787001
Gräfenstein J, Cremer D. Unusual long-range spin-spin coupling in fluorinated polyenes: a mechanistic analysis. J Chem Phys. 2007 Nov 07;127(17):174704. doi: 10.1063/1.2787001. PMID: 17994839.
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Expression and function of CXCR7 in the mouse forebrain.

Journal of neuroimmunology

Tiveron MC, Boutin C, Daou P, Moepps B, Cremer H.
PMID: 20965095
J Neuroimmunol. 2010 Jun 05; doi: 10.1016/j.jneuroim.2010.05.011. Epub 2010 Jun 05.

The chemokine CXCL12/CXCR4 signaling system is important for the regulation of neuron migration in the developing forebrain. In particular it is crucial for correct distribution of Cajal-Retzius cells and migration of cortical interneurons. Here we investigated the expression of...

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Tiveron MC, Boutin C, Daou P, et al. Expression and function of CXCR7 in the mouse forebrain. J Neuroimmunol. 2010;doi: 10.1016/j.jneuroim.2010.05.011.
Tiveron, M. C., Boutin, C., Daou, P., Moepps, B., & Cremer, H. (2010). Expression and function of CXCR7 in the mouse forebrain. Journal of neuroimmunology, . https://doi.org/10.1016/j.jneuroim.2010.05.011
Tiveron, Marie-Catherine, et al. "Expression and function of CXCR7 in the mouse forebrain." Journal of neuroimmunology vol. (2010). doi: https://doi.org/10.1016/j.jneuroim.2010.05.011
Tiveron MC, Boutin C, Daou P, Moepps B, Cremer H. Expression and function of CXCR7 in the mouse forebrain. J Neuroimmunol. 2010 Jun 05; doi: 10.1016/j.jneuroim.2010.05.011. Epub 2010 Jun 05. PMID: 20965095.
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Spinal Manipulation is Not an Emerging Risk Factor for Stroke Nor is it Major Head/Neck Trauma. Don't Just Read the Abstract!.

The open neurology journal

Smith DL, Cramer GD.
PMID: 21687558
Open Neurol J. 2011;5:46-7. doi: 10.2174/1874205X01105010046. Epub 2011 May 30.

No abstract available.

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Smith DL, Cramer GD. Spinal Manipulation is Not an Emerging Risk Factor for Stroke Nor is it Major Head/Neck Trauma. Don't Just Read the Abstract!. Open Neurol J. 2011;5:46-7doi: 10.2174/1874205X01105010046.
Smith, D. L., & Cramer, G. D. (2011). Spinal Manipulation is Not an Emerging Risk Factor for Stroke Nor is it Major Head/Neck Trauma. Don't Just Read the Abstract!. The open neurology journal, 546-7. https://doi.org/10.2174/1874205X01105010046
Smith, Dean L, and Cramer, Gregory D. "Spinal Manipulation is Not an Emerging Risk Factor for Stroke Nor is it Major Head/Neck Trauma. Don't Just Read the Abstract!." The open neurology journal vol. 5 (2011): 46-7. doi: https://doi.org/10.2174/1874205X01105010046
Smith DL, Cramer GD. Spinal Manipulation is Not an Emerging Risk Factor for Stroke Nor is it Major Head/Neck Trauma. Don't Just Read the Abstract!. Open Neurol J. 2011;5:46-7. doi: 10.2174/1874205X01105010046. Epub 2011 May 30. PMID: 21687558; PMCID: PMC3115591.
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The impact of the self-interaction error on the density functional theory description of dissociating radical cations: ionic and covalent dissociation limits.

The Journal of chemical physics

Gräfenstein J, Kraka E, Cremer D.
PMID: 15267887
J Chem Phys. 2004 Jan 08;120(2):524-39. doi: 10.1063/1.1630017.

Self-interaction corrected density functional theory was used to determine the self-interaction error for dissociating one-electron bonds. The self-interaction error of the unpaired electron mimics nondynamic correlation effects that have no physical basis where these effects increase for increasing separation...

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Gräfenstein J, Kraka E, Cremer D. The impact of the self-interaction error on the density functional theory description of dissociating radical cations: ionic and covalent dissociation limits. J Chem Phys. 2004;120(2):524-39doi: 10.1063/1.1630017.
Gräfenstein, J., Kraka, E., & Cremer, D. (2004). The impact of the self-interaction error on the density functional theory description of dissociating radical cations: ionic and covalent dissociation limits. The Journal of chemical physics, 120(2), 524-39. https://doi.org/10.1063/1.1630017
Gräfenstein, Jürgen, et al. "The impact of the self-interaction error on the density functional theory description of dissociating radical cations: ionic and covalent dissociation limits." The Journal of chemical physics vol. 120,2 (2004): 524-39. doi: https://doi.org/10.1063/1.1630017
Gräfenstein J, Kraka E, Cremer D. The impact of the self-interaction error on the density functional theory description of dissociating radical cations: ionic and covalent dissociation limits. J Chem Phys. 2004 Jan 08;120(2):524-39. doi: 10.1063/1.1630017. PMID: 15267887.
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Calculation of indirect nuclear spin-spin coupling constants within the regular approximation for relativistic effects.

The Journal of chemical physics

Filatov M, Cremer D.
PMID: 15268175
J Chem Phys. 2004 Jun 22;120(24):11407-22. doi: 10.1063/1.1752876.

A new method for calculating the indirect nuclear spin-spin coupling constant within the regular approximation to the exact relativistic Hamiltonian is presented. The method is completely analytic in the sense that it does not employ numeric integration for the...

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Filatov M, Cremer D. Calculation of indirect nuclear spin-spin coupling constants within the regular approximation for relativistic effects. J Chem Phys. 2004;120(24):11407-22doi: 10.1063/1.1752876.
Filatov, M., & Cremer, D. (2004). Calculation of indirect nuclear spin-spin coupling constants within the regular approximation for relativistic effects. The Journal of chemical physics, 120(24), 11407-22. https://doi.org/10.1063/1.1752876
Filatov, Michael, and Cremer, Dieter. "Calculation of indirect nuclear spin-spin coupling constants within the regular approximation for relativistic effects." The Journal of chemical physics vol. 120,24 (2004): 11407-22. doi: https://doi.org/10.1063/1.1752876
Filatov M, Cremer D. Calculation of indirect nuclear spin-spin coupling constants within the regular approximation for relativistic effects. J Chem Phys. 2004 Jun 22;120(24):11407-22. doi: 10.1063/1.1752876. PMID: 15268175.
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The Influence of Menstruation on Carbohydrate Tolerance in Diabetes Mellitus.

Canadian Medical Association journal

Cramer HI.
PMID: 20322500
Can Med Assoc J. 1942 Jul;47(1):51-5.

No abstract available.

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Cramer HI. The Influence of Menstruation on Carbohydrate Tolerance in Diabetes Mellitus. Can Med Assoc J. 1942;47(1):51-5
Cramer, H. I. (1942). The Influence of Menstruation on Carbohydrate Tolerance in Diabetes Mellitus. Canadian Medical Association journal, 47(1), 51-5.
Cramer, H I. "The Influence of Menstruation on Carbohydrate Tolerance in Diabetes Mellitus." Canadian Medical Association journal vol. 47,1 (1942): 51-5.
Cramer HI. The Influence of Menstruation on Carbohydrate Tolerance in Diabetes Mellitus. Can Med Assoc J. 1942 Jul;47(1):51-5. PMID: 20322500; PMCID: PMC1827245.
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Correctly identify practitioners and put adverse events of spinal manipulation into perspective.

Orthopedic reviews

Cramer GD, Smith DL.
PMID: 24744843
Orthop Rev (Pavia). 2014 Mar 04;6(1):5248. doi: 10.4081/or.2014.5248. eCollection 2014 Jan 20.

No abstract available.

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Cramer GD, Smith DL. Correctly identify practitioners and put adverse events of spinal manipulation into perspective. Orthop Rev (Pavia). 2014;6(1):5248doi: 10.4081/or.2014.5248.
Cramer, G. D., & Smith, D. L. (2014). Correctly identify practitioners and put adverse events of spinal manipulation into perspective. Orthopedic reviews, 6(1), 5248. https://doi.org/10.4081/or.2014.5248
Cramer, Gregory D, and Smith, Dean L. "Correctly identify practitioners and put adverse events of spinal manipulation into perspective." Orthopedic reviews vol. 6,1 (2014): 5248. doi: https://doi.org/10.4081/or.2014.5248
Cramer GD, Smith DL. Correctly identify practitioners and put adverse events of spinal manipulation into perspective. Orthop Rev (Pavia). 2014 Mar 04;6(1):5248. doi: 10.4081/or.2014.5248. eCollection 2014 Jan 20. PMID: 24744843; PMCID: PMC3980159.
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Accurate determination of the binding energy of the formic acid dimer: the importance of geometry relaxation.

The Journal of chemical physics

Kalescky R, Kraka E, Cremer D.
PMID: 24588177
J Chem Phys. 2014 Feb 28;140(8):084315. doi: 10.1063/1.4866696.

The formic acid dimer in its C2h-symmetrical cyclic form is stabilized by two equivalent H-bonds. The currently accepted interaction energy is 18.75 kcal/mol whereas the experimental binding energy D0 value is only 14.22 ±0.12 kcal/mol [F. Kollipost, R. W....

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Kalescky R, Kraka E, Cremer D. Accurate determination of the binding energy of the formic acid dimer: the importance of geometry relaxation. J Chem Phys. 2014;140(8):084315doi: 10.1063/1.4866696.
Kalescky, R., Kraka, E., & Cremer, D. (2014). Accurate determination of the binding energy of the formic acid dimer: the importance of geometry relaxation. The Journal of chemical physics, 140(8), 084315. https://doi.org/10.1063/1.4866696
Kalescky, Robert, et al. "Accurate determination of the binding energy of the formic acid dimer: the importance of geometry relaxation." The Journal of chemical physics vol. 140,8 (2014): 084315. doi: https://doi.org/10.1063/1.4866696
Kalescky R, Kraka E, Cremer D. Accurate determination of the binding energy of the formic acid dimer: the importance of geometry relaxation. J Chem Phys. 2014 Feb 28;140(8):084315. doi: 10.1063/1.4866696. PMID: 24588177.
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Development of a new deuterium-deuterium (D-D) neutron generator for prompt gamma-ray neutron activation analysis.

Applied radiation and isotopes : including data, instrumentation and methods for use in agriculture, industry and medicine

Bergaoui K, Reguigui N, Gary CK, Brown C, Cremer JT, Vainionpaa JH, Piestrup MA.
PMID: 25305524
Appl Radiat Isot. 2014 Dec;94:319-327. doi: 10.1016/j.apradiso.2014.09.004. Epub 2014 Sep 28.

A new deuterium-deuterium (D-D) neutron generator has been developed by Adelphi Technology for prompt gamma neutron activation analysis (PGNAA), neutron activation analysis (NAA), and fast neutron radiography. The generator makes an excellent fast, intermediate, and thermal neutron source for...

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Bergaoui K, Reguigui N, Gary CK, et al. Development of a new deuterium-deuterium (D-D) neutron generator for prompt gamma-ray neutron activation analysis. Appl Radiat Isot. 2014;94:319-327doi: 10.1016/j.apradiso.2014.09.004.
Bergaoui, K., Reguigui, N., Gary, C. K., Brown, C., Cremer, J. T., Vainionpaa, J. H., & Piestrup, M. A. (2014). Development of a new deuterium-deuterium (D-D) neutron generator for prompt gamma-ray neutron activation analysis. Applied radiation and isotopes : including data, instrumentation and methods for use in agriculture, industry and medicine, 94319-327. https://doi.org/10.1016/j.apradiso.2014.09.004
Bergaoui, K, et al. "Development of a new deuterium-deuterium (D-D) neutron generator for prompt gamma-ray neutron activation analysis." Applied radiation and isotopes : including data, instrumentation and methods for use in agriculture, industry and medicine vol. 94 (2014): 319-327. doi: https://doi.org/10.1016/j.apradiso.2014.09.004
Bergaoui K, Reguigui N, Gary CK, Brown C, Cremer JT, Vainionpaa JH, Piestrup MA. Development of a new deuterium-deuterium (D-D) neutron generator for prompt gamma-ray neutron activation analysis. Appl Radiat Isot. 2014 Dec;94:319-327. doi: 10.1016/j.apradiso.2014.09.004. Epub 2014 Sep 28. PMID: 25305524.
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Showing 13 to 24 of 224 entries