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Interpolation of intermolecular potentials using Gaussian processes.

The Journal of chemical physics

Uteva E, Graham RS, Wilkinson RD, Wheatley RJ.
PMID: 29096507
J Chem Phys. 2017 Oct 28;147(16):161706. doi: 10.1063/1.4986489.

A procedure is proposed to produce intermolecular potential energy surfaces from limited data. The procedure involves generation of geometrical configurations using a Latin hypercube design, with a maximin criterion, based on inverse internuclear distances. Gaussian processes are used to...

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Uteva E, Graham RS, Wilkinson RD, et al. Interpolation of intermolecular potentials using Gaussian processes. J Chem Phys. 2017;147(16):161706doi: 10.1063/1.4986489.
Uteva, E., Graham, R. S., Wilkinson, R. D., & Wheatley, R. J. (2017). Interpolation of intermolecular potentials using Gaussian processes. The Journal of chemical physics, 147(16), 161706. https://doi.org/10.1063/1.4986489
Uteva, Elena, et al. "Interpolation of intermolecular potentials using Gaussian processes." The Journal of chemical physics vol. 147,16 (2017): 161706. doi: https://doi.org/10.1063/1.4986489
Uteva E, Graham RS, Wilkinson RD, Wheatley RJ. Interpolation of intermolecular potentials using Gaussian processes. J Chem Phys. 2017 Oct 28;147(16):161706. doi: 10.1063/1.4986489. PMID: 29096507.
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Particles at interfaces: general discussion.

Faraday discussions

Striolo A, Kim J, Murphy C, Liz-Marzán L, Lahann J, Reguera J, Zhou Y, Brust M, Thill A, Scarabelli L, König TA, Buzza M, Kuttner C, Gonzalez Solveyra E, Wolf H, Vermant J, Pauly M, Harvie A, Pasquato L, Stocco A, Mattoussi H, Kumacheva E, Heatley K, Hanske C, Faller R, French D, Honciuc A, Binks B, Sicard F.
PMID: 27711905
Faraday Discuss. 2016 Oct 06;191:407-434. doi: 10.1039/C6FD90050J.

No abstract available.

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Striolo A, Kim J, Murphy C, et al. Particles at interfaces: general discussion. Faraday Discuss. 2016;191:407-434doi: 10.1039/C6FD90050J.
Striolo, A., Kim, J., Murphy, C., Liz-Marzán, L., Lahann, J., Reguera, J., Zhou, Y., Brust, M., Thill, A., Scarabelli, L., König, T. A., Buzza, M., Kuttner, C., Gonzalez Solveyra, E., Wolf, H., Vermant, J., Pauly, M., Harvie, A., Pasquato, L., Stocco, A., Mattoussi, H., Kumacheva, E., Heatley, K., Hanske, C., Faller, R., French, D., Honciuc, A., Binks, B., & Sicard, F. (2016). Particles at interfaces: general discussion. Faraday discussions, 191407-434. https://doi.org/10.1039/C6FD90050J
Striolo, Alberto, et al. "Particles at interfaces: general discussion." Faraday discussions vol. 191 (2016): 407-434. doi: https://doi.org/10.1039/C6FD90050J
Striolo A, Kim J, Murphy C, Liz-Marzán L, Lahann J, Reguera J, Zhou Y, Brust M, Thill A, Scarabelli L, König TA, Buzza M, Kuttner C, Gonzalez Solveyra E, Wolf H, Vermant J, Pauly M, Harvie A, Pasquato L, Stocco A, Mattoussi H, Kumacheva E, Heatley K, Hanske C, Faller R, French D, Honciuc A, Binks B, Sicard F. Particles at interfaces: general discussion. Faraday Discuss. 2016 Oct 06;191:407-434. doi: 10.1039/C6FD90050J. PMID: 27711905.
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Limitations associated with the use of the pipelle sampler.

Journal of obstetrics and gynaecology : the journal of the Institute of Obstetrics and Gynaecology

Heatley MK.
PMID: 15512127
J Obstet Gynaecol. 1998 Jul;18(4):398. doi: 10.1080/01443619867308.

No abstract available.

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Heatley MK. Limitations associated with the use of the pipelle sampler. J Obstet Gynaecol. 1998;18(4):398doi: 10.1080/01443619867308.
Heatley, M. K. (1998). Limitations associated with the use of the pipelle sampler. Journal of obstetrics and gynaecology : the journal of the Institute of Obstetrics and Gynaecology, 18(4), 398. https://doi.org/10.1080/01443619867308
Heatley, M K. "Limitations associated with the use of the pipelle sampler." Journal of obstetrics and gynaecology : the journal of the Institute of Obstetrics and Gynaecology vol. 18,4 (1998): 398. doi: https://doi.org/10.1080/01443619867308
Heatley MK. Limitations associated with the use of the pipelle sampler. J Obstet Gynaecol. 1998 Jul;18(4):398. doi: 10.1080/01443619867308. PMID: 15512127.
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Digital ultraviolet reflectance photography can be used to quantify improvements in photodamage.

Journal of cosmetic dermatology

Freedman BM, Earley RV, Balakrishnan TP.
PMID: 17166202
J Cosmet Dermatol. 2005 Jun;4(2):73-7. doi: 10.1111/j.1473-2165.2005.40204.x.

OBJECTIVE: Increasing attention has focused on the treatment and reversal of ultraviolet- induced photodamage. This study was designed to determine whether ultraviolet reflectance photography could quantify the clinical effects of erbium:YAG laser resurfacing on photoaged skin.METHODS: Twenty patients (ages...

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Freedman BM, Earley RV, Balakrishnan TP. Digital ultraviolet reflectance photography can be used to quantify improvements in photodamage. J Cosmet Dermatol. 2005;4(2):73-7doi: 10.1111/j.1473-2165.2005.40204.x.
Freedman, B. M., Earley, R. V., & Balakrishnan, T. P. (2005). Digital ultraviolet reflectance photography can be used to quantify improvements in photodamage. Journal of cosmetic dermatology, 4(2), 73-7. https://doi.org/10.1111/j.1473-2165.2005.40204.x
Freedman, B M, et al. "Digital ultraviolet reflectance photography can be used to quantify improvements in photodamage." Journal of cosmetic dermatology vol. 4,2 (2005): 73-7. doi: https://doi.org/10.1111/j.1473-2165.2005.40204.x
Freedman BM, Earley RV, Balakrishnan TP. Digital ultraviolet reflectance photography can be used to quantify improvements in photodamage. J Cosmet Dermatol. 2005 Jun;4(2):73-7. doi: 10.1111/j.1473-2165.2005.40204.x. PMID: 17166202.
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Medical schools and the government.

Science (New York, N.Y.)

Lyon NC, Heatley SA, VAN Pelt J, DE LA Torre J, Vernick S.
PMID: 17755337
Science. 1977 Oct 14;198(4313):122-3. doi: 10.1126/science.198.4313.122-a.

No abstract available.

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Lyon NC, Heatley SA, VAN Pelt J, et al. Medical schools and the government. Science. 1977;198(4313):122-3doi: 10.1126/science.198.4313.122-a.
Lyon, N. C., Heatley, S. A., VAN Pelt, J., DE LA Torre, J., & Vernick, S. (1977). Medical schools and the government. Science (New York, N.Y.), 198(4313), 122-3. https://doi.org/10.1126/science.198.4313.122-a
Lyon, N C, et al. "Medical schools and the government." Science (New York, N.Y.) vol. 198,4313 (1977): 122-3. doi: https://doi.org/10.1126/science.198.4313.122-a
Lyon NC, Heatley SA, VAN Pelt J, DE LA Torre J, Vernick S. Medical schools and the government. Science. 1977 Oct 14;198(4313):122-3. doi: 10.1126/science.198.4313.122-a. PMID: 17755337.
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The effect of zinc and vitamin C supplementation on the immune status of patients with Crohn's disease.

Clinical nutrition (Edinburgh, Scotland)

Animashaun A, Kelleher J, Heatley RV, Trejdosiewicz LK, Losowsky MS.
PMID: 16837345
Clin Nutr. 1990 Jun;9(3):137-46. doi: 10.1016/0261-5614(90)90045-t.

The immune status of 29 patients with Crohn's disease given oral supplements of Vitamin C, zinc or placebo for three-week periods was studied. Collectively, the patients showed T-cell hyporesponsiveness, as assessed by phytohaemagglutinin stimulation, which was significantly improved by...

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Animashaun A, Kelleher J, Heatley RV, et al. The effect of zinc and vitamin C supplementation on the immune status of patients with Crohn's disease. Clin Nutr. 1990;9(3):137-46doi: 10.1016/0261-5614(90)90045-t.
Animashaun, A., Kelleher, J., Heatley, R. V., Trejdosiewicz, L. K., & Losowsky, M. S. (1990). The effect of zinc and vitamin C supplementation on the immune status of patients with Crohn's disease. Clinical nutrition (Edinburgh, Scotland), 9(3), 137-46. https://doi.org/10.1016/0261-5614(90)90045-t
Animashaun, A, et al. "The effect of zinc and vitamin C supplementation on the immune status of patients with Crohn's disease." Clinical nutrition (Edinburgh, Scotland) vol. 9,3 (1990): 137-46. doi: https://doi.org/10.1016/0261-5614(90)90045-t
Animashaun A, Kelleher J, Heatley RV, Trejdosiewicz LK, Losowsky MS. The effect of zinc and vitamin C supplementation on the immune status of patients with Crohn's disease. Clin Nutr. 1990 Jun;9(3):137-46. doi: 10.1016/0261-5614(90)90045-t. PMID: 16837345.
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The effect of dietary vitamin E deficiency on plasma zinc and copper concentrations.

Clinical nutrition (Edinburgh, Scotland)

Goode HF, Purkins L, Heatley RV, Kelleher J.
PMID: 16839924
Clin Nutr. 1991 Aug;10(4):233-5. doi: 10.1016/0261-5614(91)90044-d.

Vitamin E and zinc have a number of functions in common, including membrane stabilisation, antioxidant function and modulation of prostaglandin metabolism. Previous studies have shown vitamin E malabsorption during zinc depletion and it appears that there is an interaction...

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Goode HF, Purkins L, Heatley RV, et al. The effect of dietary vitamin E deficiency on plasma zinc and copper concentrations. Clin Nutr. 1991;10(4):233-5doi: 10.1016/0261-5614(91)90044-d.
Goode, H. F., Purkins, L., Heatley, R. V., & Kelleher, J. (1991). The effect of dietary vitamin E deficiency on plasma zinc and copper concentrations. Clinical nutrition (Edinburgh, Scotland), 10(4), 233-5. https://doi.org/10.1016/0261-5614(91)90044-d
Goode, H F, et al. "The effect of dietary vitamin E deficiency on plasma zinc and copper concentrations." Clinical nutrition (Edinburgh, Scotland) vol. 10,4 (1991): 233-5. doi: https://doi.org/10.1016/0261-5614(91)90044-d
Goode HF, Purkins L, Heatley RV, Kelleher J. The effect of dietary vitamin E deficiency on plasma zinc and copper concentrations. Clin Nutr. 1991 Aug;10(4):233-5. doi: 10.1016/0261-5614(91)90044-d. PMID: 16839924.
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The distribution of glycogen in the regions of the amphibian gastrula; with a method for the micro-determination of glycogen.

The Biochemical journal

Heatley NG.
PMID: 16745941
Biochem J. 1935 Nov;29(11):2568-72. doi: 10.1042/bj0292568.

No abstract available.

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Heatley NG. The distribution of glycogen in the regions of the amphibian gastrula; with a method for the micro-determination of glycogen. Biochem J. 1935;29(11):2568-72doi: 10.1042/bj0292568.
Heatley, N. G. (1935). The distribution of glycogen in the regions of the amphibian gastrula; with a method for the micro-determination of glycogen. The Biochemical journal, 29(11), 2568-72. https://doi.org/10.1042/bj0292568
Heatley, N G. "The distribution of glycogen in the regions of the amphibian gastrula; with a method for the micro-determination of glycogen." The Biochemical journal vol. 29,11 (1935): 2568-72. doi: https://doi.org/10.1042/bj0292568
Heatley NG. The distribution of glycogen in the regions of the amphibian gastrula; with a method for the micro-determination of glycogen. Biochem J. 1935 Nov;29(11):2568-72. doi: 10.1042/bj0292568. PMID: 16745941; PMCID: PMC1266797.
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A reliable new three-dimensional potential energy surface for H(2)-Kr.

The Journal of chemical physics

Wei H, Le Roy RJ, Wheatley R, Meath WJ.
PMID: 15836053
J Chem Phys. 2005 Feb 22;122(8):84321. doi: 10.1063/1.1850462.

An improved three-dimensional potential energy surface for the H(2)-Kr system is determined from a direct fit of new infrared spectroscopic data for H(2)-Kr and D(2)-Kr to a potential energy function form based on the exchange-Coulomb model for the intermolecular...

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Wei H, Le Roy RJ, Wheatley R, et al. A reliable new three-dimensional potential energy surface for H(2)-Kr. J Chem Phys. 2005;122(8):84321doi: 10.1063/1.1850462.
Wei, H., Le Roy, R. J., Wheatley, R., & Meath, W. J. (2005). A reliable new three-dimensional potential energy surface for H(2)-Kr. The Journal of chemical physics, 122(8), 84321. https://doi.org/10.1063/1.1850462
Wei, Hua, et al. "A reliable new three-dimensional potential energy surface for H(2)-Kr." The Journal of chemical physics vol. 122,8 (2005): 84321. doi: https://doi.org/10.1063/1.1850462
Wei H, Le Roy RJ, Wheatley R, Meath WJ. A reliable new three-dimensional potential energy surface for H(2)-Kr. J Chem Phys. 2005 Feb 22;122(8):84321. doi: 10.1063/1.1850462. PMID: 15836053.
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Nonlinear directional coupler with a diffusive Kerr-type nonlinearity.

Optics letters

Heatley DR, Wright EM, Ehrlich J, Stegeman GI.
PMID: 19745918
Opt Lett. 1988 May 01;13(5):419-21. doi: 10.1364/ol.13.000419.

We present numerical results showing the effects of a diffusive Kerr-type nonlinearity on the switching characteristics of a nonlinear directional coupler. It is found that switching can still occur even when the diffusion length is equal to the waveguide...

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Heatley DR, Wright EM, Ehrlich J, et al. Nonlinear directional coupler with a diffusive Kerr-type nonlinearity. Opt Lett. 1988;13(5):419-21doi: 10.1364/ol.13.000419.
Heatley, D. R., Wright, E. M., Ehrlich, J., & Stegeman, G. I. (1988). Nonlinear directional coupler with a diffusive Kerr-type nonlinearity. Optics letters, 13(5), 419-21. https://doi.org/10.1364/ol.13.000419
Heatley, D R, et al. "Nonlinear directional coupler with a diffusive Kerr-type nonlinearity." Optics letters vol. 13,5 (1988): 419-21. doi: https://doi.org/10.1364/ol.13.000419
Heatley DR, Wright EM, Ehrlich J, Stegeman GI. Nonlinear directional coupler with a diffusive Kerr-type nonlinearity. Opt Lett. 1988 May 01;13(5):419-21. doi: 10.1364/ol.13.000419. PMID: 19745918.
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Kerr lens effects in a ring resonator with an aperture:mode locking and unidirectional operation.

Optics letters

Heatley DR, Dunlop AM, Firth WJ.
PMID: 19802074
Opt Lett. 1993 Jan 15;18(2):170-2. doi: 10.1364/ol.18.000170.

A ring resonator containing a Kerr lens and a Gaussian slit is analyzed. From the point of view of Kerr lens mode locking, it is shown that a self-defocusing nonlinear element is as effective as a self-focusing one and...

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Heatley DR, Dunlop AM, Firth WJ. Kerr lens effects in a ring resonator with an aperture:mode locking and unidirectional operation. Opt Lett. 1993;18(2):170-2doi: 10.1364/ol.18.000170.
Heatley, D. R., Dunlop, A. M., & Firth, W. J. (1993). Kerr lens effects in a ring resonator with an aperture:mode locking and unidirectional operation. Optics letters, 18(2), 170-2. https://doi.org/10.1364/ol.18.000170
Heatley, D R, et al. "Kerr lens effects in a ring resonator with an aperture:mode locking and unidirectional operation." Optics letters vol. 18,2 (1993): 170-2. doi: https://doi.org/10.1364/ol.18.000170
Heatley DR, Dunlop AM, Firth WJ. Kerr lens effects in a ring resonator with an aperture:mode locking and unidirectional operation. Opt Lett. 1993 Jan 15;18(2):170-2. doi: 10.1364/ol.18.000170. PMID: 19802074.
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The expression of the proliferation marker Ki-67 and oestrogen and progesterone receptors in the proximal and distal fallopian tube.

Journal of obstetrics and gynaecology : the journal of the Institute of Obstetrics and Gynaecology

Khan MS, Heatley MK.
PMID: 15512380
J Obstet Gynaecol. 1999 Sep;19(5):519-21. doi: 10.1080/01443619964355.

Significant epithelial proliferation is identified more frequently in the fallopian tube in patients with ovarian tumours than in control patients. More extensive sampling of the fallopian tube is also associated with a more frequent identification of epithelial proliferation. We...

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Khan MS, Heatley MK. The expression of the proliferation marker Ki-67 and oestrogen and progesterone receptors in the proximal and distal fallopian tube. J Obstet Gynaecol. 1999;19(5):519-21doi: 10.1080/01443619964355.
Khan, M. S., & Heatley, M. K. (1999). The expression of the proliferation marker Ki-67 and oestrogen and progesterone receptors in the proximal and distal fallopian tube. Journal of obstetrics and gynaecology : the journal of the Institute of Obstetrics and Gynaecology, 19(5), 519-21. https://doi.org/10.1080/01443619964355
Khan, M S, and Heatley, M K. "The expression of the proliferation marker Ki-67 and oestrogen and progesterone receptors in the proximal and distal fallopian tube." Journal of obstetrics and gynaecology : the journal of the Institute of Obstetrics and Gynaecology vol. 19,5 (1999): 519-21. doi: https://doi.org/10.1080/01443619964355
Khan MS, Heatley MK. The expression of the proliferation marker Ki-67 and oestrogen and progesterone receptors in the proximal and distal fallopian tube. J Obstet Gynaecol. 1999 Sep;19(5):519-21. doi: 10.1080/01443619964355. PMID: 15512380.
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Showing 1 to 12 of 149 entries