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First-Principles Design of a Deep-Ultraviolet Nonlinear-Optical Crystal from KBe2BO3F2 to NH4Be2BO3F2.

Inorganic chemistry

Kang L, Luo S, Peng G, Ye N, Wu Y, Chen C, Lin Z.
PMID: 26509702
Inorg Chem. 2015 Nov 16;54(22):10533-5. doi: 10.1021/acs.inorgchem.5b01991. Epub 2015 Oct 28.

KBe2BO3F2 (KBBF) is so far the sole nonlinear-optical (NLO) material that can be practically applied in the deep-ultraviolet (DUV) region. For the purpose of overcoming its layering tendency in crystal growth, herein a computer-assisted material design system is employed...

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Kang L, Luo S, Peng G, et al. First-Principles Design of a Deep-Ultraviolet Nonlinear-Optical Crystal from KBe2BO3F2 to NH4Be2BO3F2. Inorg Chem. 2015;54(22):10533-5doi: 10.1021/acs.inorgchem.5b01991.
Kang, L., Luo, S., Peng, G., Ye, N., Wu, Y., Chen, C., & Lin, Z. (2015). First-Principles Design of a Deep-Ultraviolet Nonlinear-Optical Crystal from KBe2BO3F2 to NH4Be2BO3F2. Inorganic chemistry, 54(22), 10533-5. https://doi.org/10.1021/acs.inorgchem.5b01991
Kang, Lei, et al. "First-Principles Design of a Deep-Ultraviolet Nonlinear-Optical Crystal from KBe2BO3F2 to NH4Be2BO3F2." Inorganic chemistry vol. 54,22 (2015): 10533-5. doi: https://doi.org/10.1021/acs.inorgchem.5b01991
Kang L, Luo S, Peng G, Ye N, Wu Y, Chen C, Lin Z. First-Principles Design of a Deep-Ultraviolet Nonlinear-Optical Crystal from KBe2BO3F2 to NH4Be2BO3F2. Inorg Chem. 2015 Nov 16;54(22):10533-5. doi: 10.1021/acs.inorgchem.5b01991. Epub 2015 Oct 28. PMID: 26509702.
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Force-field parameters for beryllium complexes in amorphous layers.

Journal of molecular modeling

Emelyanova S, Chashchikhin V, Bagaturyants A.
PMID: 27550375
J Mol Model. 2016 Sep;22(9):215. doi: 10.1007/s00894-016-3090-1. Epub 2016 Aug 22.

Unknown force-field parameters for metal organic beryllium complexes used in emitting and electron transporting layers of OLED structures are determined. These parameters can be used for the predictive atomistic simulations of the structure and properties of amorphous organic layers...

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Emelyanova S, Chashchikhin V, Bagaturyants A. Force-field parameters for beryllium complexes in amorphous layers. J Mol Model. 2016;22(9):215doi: 10.1007/s00894-016-3090-1.
Emelyanova, S., Chashchikhin, V., & Bagaturyants, A. (2016). Force-field parameters for beryllium complexes in amorphous layers. Journal of molecular modeling, 22(9), 215. https://doi.org/10.1007/s00894-016-3090-1
Emelyanova, Svetlana, et al. "Force-field parameters for beryllium complexes in amorphous layers." Journal of molecular modeling vol. 22,9 (2016): 215. doi: https://doi.org/10.1007/s00894-016-3090-1
Emelyanova S, Chashchikhin V, Bagaturyants A. Force-field parameters for beryllium complexes in amorphous layers. J Mol Model. 2016 Sep;22(9):215. doi: 10.1007/s00894-016-3090-1. Epub 2016 Aug 22. PMID: 27550375.
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Pressure-Induced Stable Beryllium Peroxide.

Inorganic chemistry

Zhang S, Li F, Xu H, Yang G.
PMID: 28398041
Inorg Chem. 2017 May 01;56(9):5233-5238. doi: 10.1021/acs.inorgchem.7b00365. Epub 2017 Apr 11.

Beryllium oxides, at ambient pressure, have been extensively studied due to their unique chemical bonds and applications. However, the long-desirable target beryllium peroxide (BeO

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Zhang S, Li F, Xu H, et al. Pressure-Induced Stable Beryllium Peroxide. Inorg Chem. 2017;56(9):5233-5238doi: 10.1021/acs.inorgchem.7b00365.
Zhang, S., Li, F., Xu, H., & Yang, G. (2017). Pressure-Induced Stable Beryllium Peroxide. Inorganic chemistry, 56(9), 5233-5238. https://doi.org/10.1021/acs.inorgchem.7b00365
Zhang, Shoutao, et al. "Pressure-Induced Stable Beryllium Peroxide." Inorganic chemistry vol. 56,9 (2017): 5233-5238. doi: https://doi.org/10.1021/acs.inorgchem.7b00365
Zhang S, Li F, Xu H, Yang G. Pressure-Induced Stable Beryllium Peroxide. Inorg Chem. 2017 May 01;56(9):5233-5238. doi: 10.1021/acs.inorgchem.7b00365. Epub 2017 Apr 11. PMID: 28398041.
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Decomposition of the configuration-interaction coefficients in the multiconfiguration time-dependent Hartree-Fock method.

The Journal of chemical physics

Lötstedt E, Kato T, Yamanouchi K.
PMID: 27389213
J Chem Phys. 2016 Apr 21;144(15):154111. doi: 10.1063/1.4947018.

An approximate implementation of the multiconfiguration time-dependent Hartree-Fock method is proposed, in which the matrix of configuration-interaction coefficients is decomposed into a product of matrices of smaller dimension. The applicability of this method in which all the configurations are...

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Lötstedt E, Kato T, Yamanouchi K. Decomposition of the configuration-interaction coefficients in the multiconfiguration time-dependent Hartree-Fock method. J Chem Phys. 2016;144(15):154111doi: 10.1063/1.4947018.
Lötstedt, E., Kato, T., & Yamanouchi, K. (2016). Decomposition of the configuration-interaction coefficients in the multiconfiguration time-dependent Hartree-Fock method. The Journal of chemical physics, 144(15), 154111. https://doi.org/10.1063/1.4947018
Lötstedt, Erik, et al. "Decomposition of the configuration-interaction coefficients in the multiconfiguration time-dependent Hartree-Fock method." The Journal of chemical physics vol. 144,15 (2016): 154111. doi: https://doi.org/10.1063/1.4947018
Lötstedt E, Kato T, Yamanouchi K. Decomposition of the configuration-interaction coefficients in the multiconfiguration time-dependent Hartree-Fock method. J Chem Phys. 2016 Apr 21;144(15):154111. doi: 10.1063/1.4947018. PMID: 27389213.
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Designing a Beryllium-Free Deep-Ultraviolet Nonlinear Optical Material without a Structural Instability Problem.

Journal of the American Chemical Society

Zhao S, Kang L, Shen Y, Wang X, Asghar MA, Lin Z, Xu Y, Zeng S, Hong M, Luo J.
PMID: 26889570
J Am Chem Soc. 2016 Mar 09;138(9):2961-4. doi: 10.1021/jacs.6b00436. Epub 2016 Feb 25.

A beryllium-free deep-ultraviolet (deep-UV) nonlinear optical (NLO) material K3Ba3Li2Al4B6O20F is developed mainly by the element substitution of Be for Al and Li from Sr2Be2B2O7 that was considered as one of the most promising deep-UV NLO materials. K3Ba3Li2Al4B6O20F preserves the...

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Zhao S, Kang L, Shen Y, et al. Designing a Beryllium-Free Deep-Ultraviolet Nonlinear Optical Material without a Structural Instability Problem. J Am Chem Soc. 2016;138(9):2961-4doi: 10.1021/jacs.6b00436.
Zhao, S., Kang, L., Shen, Y., Wang, X., Asghar, M. A., Lin, Z., Xu, Y., Zeng, S., Hong, M., & Luo, J. (2016). Designing a Beryllium-Free Deep-Ultraviolet Nonlinear Optical Material without a Structural Instability Problem. Journal of the American Chemical Society, 138(9), 2961-4. https://doi.org/10.1021/jacs.6b00436
Zhao, Sangen, et al. "Designing a Beryllium-Free Deep-Ultraviolet Nonlinear Optical Material without a Structural Instability Problem." Journal of the American Chemical Society vol. 138,9 (2016): 2961-4. doi: https://doi.org/10.1021/jacs.6b00436
Zhao S, Kang L, Shen Y, Wang X, Asghar MA, Lin Z, Xu Y, Zeng S, Hong M, Luo J. Designing a Beryllium-Free Deep-Ultraviolet Nonlinear Optical Material without a Structural Instability Problem. J Am Chem Soc. 2016 Mar 09;138(9):2961-4. doi: 10.1021/jacs.6b00436. Epub 2016 Feb 25. PMID: 26889570.
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Experimental Demonstration of the Stabilizing Effect of Dielectric Coatings on Magnetically Accelerated Imploding Metallic Liners.

Physical review letters

Awe TJ, Peterson KJ, Yu EP, McBride RD, Sinars DB, Gomez MR, Jennings CA, Martin MR, Rosenthal SE, Schroen DG, Sefkow AB, Slutz SA, Tomlinson K, Vesey RA.
PMID: 26918996
Phys Rev Lett. 2016 Feb 12;116(6):065001. doi: 10.1103/PhysRevLett.116.065001. Epub 2016 Feb 10.

Enhanced implosion stability has been experimentally demonstrated for magnetically accelerated liners that are coated with 70  μm of dielectric. The dielectric tamps liner-mass redistribution from electrothermal instabilities and also buffers coupling of the drive magnetic field to the magneto-Rayleigh-Taylor...

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Awe TJ, Peterson KJ, Yu EP, et al. Experimental Demonstration of the Stabilizing Effect of Dielectric Coatings on Magnetically Accelerated Imploding Metallic Liners. Phys Rev Lett. 2016;116(6):065001doi: 10.1103/PhysRevLett.116.065001.
Awe, T. J., Peterson, K. J., Yu, E. P., McBride, R. D., Sinars, D. B., Gomez, M. R., Jennings, C. A., Martin, M. R., Rosenthal, S. E., Schroen, D. G., Sefkow, A. B., Slutz, S. A., Tomlinson, K., & Vesey, R. A. (2016). Experimental Demonstration of the Stabilizing Effect of Dielectric Coatings on Magnetically Accelerated Imploding Metallic Liners. Physical review letters, 116(6), 065001. https://doi.org/10.1103/PhysRevLett.116.065001
Awe, T J, et al. "Experimental Demonstration of the Stabilizing Effect of Dielectric Coatings on Magnetically Accelerated Imploding Metallic Liners." Physical review letters vol. 116,6 (2016): 065001. doi: https://doi.org/10.1103/PhysRevLett.116.065001
Awe TJ, Peterson KJ, Yu EP, McBride RD, Sinars DB, Gomez MR, Jennings CA, Martin MR, Rosenthal SE, Schroen DG, Sefkow AB, Slutz SA, Tomlinson K, Vesey RA. Experimental Demonstration of the Stabilizing Effect of Dielectric Coatings on Magnetically Accelerated Imploding Metallic Liners. Phys Rev Lett. 2016 Feb 12;116(6):065001. doi: 10.1103/PhysRevLett.116.065001. Epub 2016 Feb 10. PMID: 26918996.
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Be2BO3F: A Phase of Beryllium Fluoride Borate Derived from KBe2BO3F2 with Short UV Absorption Edge.

Inorganic chemistry

Guo S, Liu L, Xia M, Kang L, Huang Q, Li C, Wang X, Lin Z, Chen C.
PMID: 27332696
Inorg Chem. 2016 Jul 05;55(13):6586-91. doi: 10.1021/acs.inorgchem.6b00755. Epub 2016 Jun 22.

A phase of beryllium fluoride borate Be2BO3F (BBF) was successfully developed and grown by spontaneous nucleation from high temperature solution. The crystal belongs to the trigonal space group of R3̅c (No. 167), with lattice parameters a = 4.442(1) Å,...

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Guo S, Liu L, Xia M, et al. Be2BO3F: A Phase of Beryllium Fluoride Borate Derived from KBe2BO3F2 with Short UV Absorption Edge. Inorg Chem. 2016;55(13):6586-91doi: 10.1021/acs.inorgchem.6b00755.
Guo, S., Liu, L., Xia, M., Kang, L., Huang, Q., Li, C., Wang, X., Lin, Z., & Chen, C. (2016). Be2BO3F: A Phase of Beryllium Fluoride Borate Derived from KBe2BO3F2 with Short UV Absorption Edge. Inorganic chemistry, 55(13), 6586-91. https://doi.org/10.1021/acs.inorgchem.6b00755
Guo, Shu, et al. "Be2BO3F: A Phase of Beryllium Fluoride Borate Derived from KBe2BO3F2 with Short UV Absorption Edge." Inorganic chemistry vol. 55,13 (2016): 6586-91. doi: https://doi.org/10.1021/acs.inorgchem.6b00755
Guo S, Liu L, Xia M, Kang L, Huang Q, Li C, Wang X, Lin Z, Chen C. Be2BO3F: A Phase of Beryllium Fluoride Borate Derived from KBe2BO3F2 with Short UV Absorption Edge. Inorg Chem. 2016 Jul 05;55(13):6586-91. doi: 10.1021/acs.inorgchem.6b00755. Epub 2016 Jun 22. PMID: 27332696.
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Space-resolved extreme ultraviolet spectroscopy free of high-energy neutral particle noise in wavelength range of 10-130 Å on the large helical device.

The Review of scientific instruments

Huang X, Morita S, Oishi T, Goto M, Dong C.
PMID: 24784611
Rev Sci Instrum. 2014 Apr;85(4):043511. doi: 10.1063/1.4872384.

A flat-field space-resolved extreme ultraviolet (EUV) spectrometer system working in wavelength range of 10-130 Å has been constructed in the Large Helical Device (LHD) for profile measurements of bremsstrahlung continuum and line emissions of heavy impurities in the central...

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Huang X, Morita S, Oishi T, et al. Space-resolved extreme ultraviolet spectroscopy free of high-energy neutral particle noise in wavelength range of 10-130 Å on the large helical device. Rev Sci Instrum. 2014;85(4):043511doi: 10.1063/1.4872384.
Huang, X., Morita, S., Oishi, T., Goto, M., & Dong, C. (2014). Space-resolved extreme ultraviolet spectroscopy free of high-energy neutral particle noise in wavelength range of 10-130 Å on the large helical device. The Review of scientific instruments, 85(4), 043511. https://doi.org/10.1063/1.4872384
Huang, Xianli, et al. "Space-resolved extreme ultraviolet spectroscopy free of high-energy neutral particle noise in wavelength range of 10-130 Å on the large helical device." The Review of scientific instruments vol. 85,4 (2014): 043511. doi: https://doi.org/10.1063/1.4872384
Huang X, Morita S, Oishi T, Goto M, Dong C. Space-resolved extreme ultraviolet spectroscopy free of high-energy neutral particle noise in wavelength range of 10-130 Å on the large helical device. Rev Sci Instrum. 2014 Apr;85(4):043511. doi: 10.1063/1.4872384. PMID: 24784611.
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Modulating the Strength of Hydrogen Bonds through Beryllium Bonds.

Journal of chemical theory and computation

Mó O, Yáñez M, Alkorta I, Elguero J.
PMID: 26588962
J Chem Theory Comput. 2012 Jul 10;8(7):2293-300. doi: 10.1021/ct300243b. Epub 2012 Jun 04.

The mutual influence between beryllium bonds and inter- or intramolecular hydrogen bonds (HBs) has been investigated at the B3LYP/6-311++G(3df,2p) level of theory, using the complexes between imidazole dimer and malonaldehyde with BeH2 and BeF2 as suitable model systems. Imidazole...

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Mó O, Yáñez M, Alkorta I, et al. Modulating the Strength of Hydrogen Bonds through Beryllium Bonds. J Chem Theory Comput. 2012;8(7):2293-300doi: 10.1021/ct300243b.
Mó, O., Yáñez, M., Alkorta, I., & Elguero, J. (2012). Modulating the Strength of Hydrogen Bonds through Beryllium Bonds. Journal of chemical theory and computation, 8(7), 2293-300. https://doi.org/10.1021/ct300243b
Mó, Otilia, et al. "Modulating the Strength of Hydrogen Bonds through Beryllium Bonds." Journal of chemical theory and computation vol. 8,7 (2012): 2293-300. doi: https://doi.org/10.1021/ct300243b
Mó O, Yáñez M, Alkorta I, Elguero J. Modulating the Strength of Hydrogen Bonds through Beryllium Bonds. J Chem Theory Comput. 2012 Jul 10;8(7):2293-300. doi: 10.1021/ct300243b. Epub 2012 Jun 04. PMID: 26588962.
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Tunable vacuum ultraviolet laser based spectrometer for angle resolved photoemission spectroscopy.

The Review of scientific instruments

Jiang R, Mou D, Wu Y, Huang L, McMillen CD, Kolis J, Giesber HG, Egan JJ, Kaminski A.
PMID: 24689595
Rev Sci Instrum. 2014 Mar;85(3):033902. doi: 10.1063/1.4867517.

We have developed an angle-resolved photoemission spectrometer with tunable vacuum ultraviolet laser as a photon source. The photon source is based on the fourth harmonic generation of a near IR beam from a Ti:sapphire laser pumped by a CW...

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Jiang R, Mou D, Wu Y, et al. Tunable vacuum ultraviolet laser based spectrometer for angle resolved photoemission spectroscopy. Rev Sci Instrum. 2014;85(3):033902doi: 10.1063/1.4867517.
Jiang, R., Mou, D., Wu, Y., Huang, L., McMillen, C. D., Kolis, J., Giesber, H. G., Egan, J. J., & Kaminski, A. (2014). Tunable vacuum ultraviolet laser based spectrometer for angle resolved photoemission spectroscopy. The Review of scientific instruments, 85(3), 033902. https://doi.org/10.1063/1.4867517
Jiang, Rui, et al. "Tunable vacuum ultraviolet laser based spectrometer for angle resolved photoemission spectroscopy." The Review of scientific instruments vol. 85,3 (2014): 033902. doi: https://doi.org/10.1063/1.4867517
Jiang R, Mou D, Wu Y, Huang L, McMillen CD, Kolis J, Giesber HG, Egan JJ, Kaminski A. Tunable vacuum ultraviolet laser based spectrometer for angle resolved photoemission spectroscopy. Rev Sci Instrum. 2014 Mar;85(3):033902. doi: 10.1063/1.4867517. PMID: 24689595.
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Glacier maxima in Baffin Bay during the Medieval Warm Period coeval with Norse settlement.

Science advances

Young NE, Schweinsberg AD, Briner JP, Schaefer JM.
PMID: 26665173
Sci Adv. 2015 Dec 04;1(11):e1500806. doi: 10.1126/sciadv.1500806. eCollection 2015 Dec.

The climatic mechanisms driving the shift from the Medieval Warm Period (MWP) to the Little Ice Age (LIA) in the North Atlantic region are debated. We use cosmogenic beryllium-10 dating to develop a moraine chronology with century-scale resolution over...

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Young NE, Schweinsberg AD, Briner JP, et al. Glacier maxima in Baffin Bay during the Medieval Warm Period coeval with Norse settlement. Sci Adv. 2015;1(11):e1500806doi: 10.1126/sciadv.1500806.
Young, N. E., Schweinsberg, A. D., Briner, J. P., & Schaefer, J. M. (2015). Glacier maxima in Baffin Bay during the Medieval Warm Period coeval with Norse settlement. Science advances, 1(11), e1500806. https://doi.org/10.1126/sciadv.1500806
Young, Nicolás E, et al. "Glacier maxima in Baffin Bay during the Medieval Warm Period coeval with Norse settlement." Science advances vol. 1,11 (2015): e1500806. doi: https://doi.org/10.1126/sciadv.1500806
Young NE, Schweinsberg AD, Briner JP, Schaefer JM. Glacier maxima in Baffin Bay during the Medieval Warm Period coeval with Norse settlement. Sci Adv. 2015 Dec 04;1(11):e1500806. doi: 10.1126/sciadv.1500806. eCollection 2015 Dec. PMID: 26665173; PMCID: PMC4673052.
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The application of selected radionuclides for monitoring of the D-D reactions produced by dense plasma-focus device.

Journal of radioanalytical and nuclear chemistry

Jednorog S, Szydlowski A, Bienkowska B, Prokopowicz R.
PMID: 26229218
J Radioanal Nucl Chem. 2014;301(1):23-31. doi: 10.1007/s10967-014-3131-0. Epub 2014 Apr 17.

The dense plasma focus (DPF) device-DPF-1000U which is operated at the Institute of Plasma Physics and Laser Microfusion is the largest that type plasma experiment in the world. The plasma that is formed in large plasma experiments is characterized...

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Jednorog S, Szydlowski A, Bienkowska B, et al. The application of selected radionuclides for monitoring of the D-D reactions produced by dense plasma-focus device. J Radioanal Nucl Chem. 2014;301(1):23-31doi: 10.1007/s10967-014-3131-0.
Jednorog, S., Szydlowski, A., Bienkowska, B., & Prokopowicz, R. (2014). The application of selected radionuclides for monitoring of the D-D reactions produced by dense plasma-focus device. Journal of radioanalytical and nuclear chemistry, 301(1), 23-31. https://doi.org/10.1007/s10967-014-3131-0
Jednorog, S, et al. "The application of selected radionuclides for monitoring of the D-D reactions produced by dense plasma-focus device." Journal of radioanalytical and nuclear chemistry vol. 301,1 (2014): 23-31. doi: https://doi.org/10.1007/s10967-014-3131-0
Jednorog S, Szydlowski A, Bienkowska B, Prokopowicz R. The application of selected radionuclides for monitoring of the D-D reactions produced by dense plasma-focus device. J Radioanal Nucl Chem. 2014;301(1):23-31. doi: 10.1007/s10967-014-3131-0. Epub 2014 Apr 17. PMID: 26229218; PMCID: PMC4517374.
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Showing 13 to 24 of 1003 entries