Advanced Search
Display options
Filter resources
Text Availability
Article type
Publication date
Species
Language
Sex
Age
Showing 1 to 12 of 800 entries
Sorted by: Best Match Show Resources per page
Experimental and computational study of a new wheel-shaped {[W5O21]3[(U(VI)O))2(μ-O2)]3}30- polyoxometalate.

Inorganic chemistry

Miró P, Ling J, Qiu J, Burns PC, Gagliardi L, Cramer CJ.
PMID: 22857707
Inorg Chem. 2012 Aug 20;51(16):8784-90. doi: 10.1021/ic3005536. Epub 2012 Aug 02.

A new wheel-shaped polyoxometalate {[W(5)O(21)](3)[(U(VI)O(2))(2)(μ-O(2))](3)}(30-) has been synthesized and structurally characterized. The calculated electrostatic potential reveals the protonation of several μ-oxo bridges reducing the polyoxometalate total charge. A protonated structure computed at the density functional level of theory (DFT)...

Cite
Miró P, Ling J, Qiu J, et al. Experimental and computational study of a new wheel-shaped {[W5O21]3[(U(VI)O))2(μ-O2)]3}30- polyoxometalate. Inorg Chem. 2012;51(16):8784-90doi: 10.1021/ic3005536.
Miró, P., Ling, J., Qiu, J., Burns, P. C., Gagliardi, L., & Cramer, C. J. (2012). Experimental and computational study of a new wheel-shaped {[W5O21]3[(U(VI)O))2(μ-O2)]3}30- polyoxometalate. Inorganic chemistry, 51(16), 8784-90. https://doi.org/10.1021/ic3005536
Miró, Pere, et al. "Experimental and computational study of a new wheel-shaped {[W5O21]3[(U(VI)O))2(μ-O2)]3}30- polyoxometalate." Inorganic chemistry vol. 51,16 (2012): 8784-90. doi: https://doi.org/10.1021/ic3005536
Miró P, Ling J, Qiu J, Burns PC, Gagliardi L, Cramer CJ. Experimental and computational study of a new wheel-shaped {[W5O21]3[(U(VI)O))2(μ-O2)]3}30- polyoxometalate. Inorg Chem. 2012 Aug 20;51(16):8784-90. doi: 10.1021/ic3005536. Epub 2012 Aug 02. PMID: 22857707.
Copy Download .nbib Format: NLM
Stripe-like nanoscale structural phase separation in superconducting BaPb(1-x)Bi(x)O3.

Nature communications

Giraldo-Gallo P, Zhang Y, Parra C, Manoharan HC, Beasley MR, Geballe TH, Kramer MJ, Fisher IR.
PMID: 26373890
Nat Commun. 2015 Sep 16;6:8231. doi: 10.1038/ncomms9231.

The phase diagram of BaPb(1-x)Bi(x)O3 exhibits a superconducting dome in the proximity of a charge density wave phase. For the superconducting compositions, the material coexists as two structural polymorphs. Here we show, via high-resolution transmission electron microscopy, that the...

Cite
Giraldo-Gallo P, Zhang Y, Parra C, et al. Stripe-like nanoscale structural phase separation in superconducting BaPb(1-x)Bi(x)O3. Nat Commun. 2015;6:8231doi: 10.1038/ncomms9231.
Giraldo-Gallo, P., Zhang, Y., Parra, C., Manoharan, H. C., Beasley, M. R., Geballe, T. H., Kramer, M. J., & Fisher, I. R. (2015). Stripe-like nanoscale structural phase separation in superconducting BaPb(1-x)Bi(x)O3. Nature communications, 68231. https://doi.org/10.1038/ncomms9231
Giraldo-Gallo, P, et al. "Stripe-like nanoscale structural phase separation in superconducting BaPb(1-x)Bi(x)O3." Nature communications vol. 6 (2015): 8231. doi: https://doi.org/10.1038/ncomms9231
Giraldo-Gallo P, Zhang Y, Parra C, Manoharan HC, Beasley MR, Geballe TH, Kramer MJ, Fisher IR. Stripe-like nanoscale structural phase separation in superconducting BaPb(1-x)Bi(x)O3. Nat Commun. 2015 Sep 16;6:8231. doi: 10.1038/ncomms9231. PMID: 26373890; PMCID: PMC4595596.
Copy Download .nbib Format: NLM
High-bandwidth transfer of phase stability through a fiber frequency comb.

Optics express

Scharnhorst N, Wübbena JB, Hannig S, Jakobsen K, Kramer J, Leroux ID, Schmidt PO.
PMID: 26367634
Opt Express. 2015 Jul 27;23(15):19771-6. doi: 10.1364/OE.23.019771.

We demonstrate phase locking of a 729 nm diode laser to a 1542 nm master laser via an erbium-doped-fiber frequency comb, using a transfer-oscillator feedforward scheme which suppresses the effect of comb noise in an unprecedented 1.8 MHz bandwidth....

Cite
Scharnhorst N, Wübbena JB, Hannig S, et al. High-bandwidth transfer of phase stability through a fiber frequency comb. Opt Express. 2015;23(15):19771-6doi: 10.1364/OE.23.019771.
Scharnhorst, N., Wübbena, J. B., Hannig, S., Jakobsen, K., Kramer, J., Leroux, I. D., & Schmidt, P. O. (2015). High-bandwidth transfer of phase stability through a fiber frequency comb. Optics express, 23(15), 19771-6. https://doi.org/10.1364/OE.23.019771
Scharnhorst, Nils, et al. "High-bandwidth transfer of phase stability through a fiber frequency comb." Optics express vol. 23,15 (2015): 19771-6. doi: https://doi.org/10.1364/OE.23.019771
Scharnhorst N, Wübbena JB, Hannig S, Jakobsen K, Kramer J, Leroux ID, Schmidt PO. High-bandwidth transfer of phase stability through a fiber frequency comb. Opt Express. 2015 Jul 27;23(15):19771-6. doi: 10.1364/OE.23.019771. PMID: 26367634.
Copy Download .nbib Format: NLM
'Crystal Genes' in Metallic Liquids and Glasses.

Scientific reports

Sun Y, Zhang F, Ye Z, Zhang Y, Fang X, Ding Z, Wang CZ, Mendelev MI, Ott RT, Kramer MJ, Ho KM.
PMID: 27030071
Sci Rep. 2016 Mar 31;6:23734. doi: 10.1038/srep23734.

We analyze the underlying structural order that transcends liquid, glass and crystalline states in metallic systems. A genetic algorithm is applied to search for the most common energetically favorable packing motifs in crystalline structures. These motifs are in turn...

Cite
Sun Y, Zhang F, Ye Z, et al. 'Crystal Genes' in Metallic Liquids and Glasses. Sci Rep. 2016;6:23734doi: 10.1038/srep23734.
Sun, Y., Zhang, F., Ye, Z., Zhang, Y., Fang, X., Ding, Z., Wang, C. Z., Mendelev, M. I., Ott, R. T., Kramer, M. J., & Ho, K. M. (2016). 'Crystal Genes' in Metallic Liquids and Glasses. Scientific reports, 623734. https://doi.org/10.1038/srep23734
Sun, Yang, et al. "'Crystal Genes' in Metallic Liquids and Glasses." Scientific reports vol. 6 (2016): 23734. doi: https://doi.org/10.1038/srep23734
Sun Y, Zhang F, Ye Z, Zhang Y, Fang X, Ding Z, Wang CZ, Mendelev MI, Ott RT, Kramer MJ, Ho KM. 'Crystal Genes' in Metallic Liquids and Glasses. Sci Rep. 2016 Mar 31;6:23734. doi: 10.1038/srep23734. PMID: 27030071; PMCID: PMC4814814.
Copy Download .nbib Format: NLM
Applications and limitations of electron correlation microscopy to study relaxation dynamics in supercooled liquids.

Ultramicroscopy

Zhang P, He L, Besser MF, Liu Z, Schroers J, Kramer MJ, Voyles PM.
PMID: 27638332
Ultramicroscopy. 2017 Jul;178:125-130. doi: 10.1016/j.ultramic.2016.09.001. Epub 2016 Sep 08.

Electron correlation microscopy (ECM) is a way to measure structural relaxation times, τ, of liquids with nanometer-scale spatial resolution using coherent electron scattering equivalent of photon correlation spectroscopy. We have applied ECM with a 3.5nm diameter probe to Pt

Cite
Zhang P, He L, Besser MF, et al. Applications and limitations of electron correlation microscopy to study relaxation dynamics in supercooled liquids. Ultramicroscopy. 2016;178:125-130doi: 10.1016/j.ultramic.2016.09.001.
Zhang, P., He, L., Besser, M. F., Liu, Z., Schroers, J., Kramer, M. J., & Voyles, P. M. (2017). Applications and limitations of electron correlation microscopy to study relaxation dynamics in supercooled liquids. Ultramicroscopy, 178125-130. https://doi.org/10.1016/j.ultramic.2016.09.001
Zhang, Pei, et al. "Applications and limitations of electron correlation microscopy to study relaxation dynamics in supercooled liquids." Ultramicroscopy vol. 178 (2017): 125-130. doi: https://doi.org/10.1016/j.ultramic.2016.09.001
Zhang P, He L, Besser MF, Liu Z, Schroers J, Kramer MJ, Voyles PM. Applications and limitations of electron correlation microscopy to study relaxation dynamics in supercooled liquids. Ultramicroscopy. 2017 Jul;178:125-130. doi: 10.1016/j.ultramic.2016.09.001. Epub 2016 Sep 08. PMID: 27638332.
Copy Download .nbib Format: NLM
Excited-State Absorption from Real-Time Time-Dependent Density Functional Theory: Optical Limiting in Zinc Phthalocyanine.

The journal of physical chemistry letters

Fischer SA, Cramer CJ, Govind N.
PMID: 27007445
J Phys Chem Lett. 2016 Apr 07;7(7):1387-91. doi: 10.1021/acs.jpclett.6b00282. Epub 2016 Mar 28.

Optical-limiting materials are capable of attenuating light to protect delicate equipment from high-intensity light sources. Phthalocyanines have attracted a lot of attention for optical-limiting applications due to their versatility and large nonlinear absorption. With excited-state absorption (ESA) being the...

Cite
Fischer SA, Cramer CJ, Govind N. Excited-State Absorption from Real-Time Time-Dependent Density Functional Theory: Optical Limiting in Zinc Phthalocyanine. J Phys Chem Lett. 2016;7(7):1387-91doi: 10.1021/acs.jpclett.6b00282.
Fischer, S. A., Cramer, C. J., & Govind, N. (2016). Excited-State Absorption from Real-Time Time-Dependent Density Functional Theory: Optical Limiting in Zinc Phthalocyanine. The journal of physical chemistry letters, 7(7), 1387-91. https://doi.org/10.1021/acs.jpclett.6b00282
Fischer, Sean A, et al. "Excited-State Absorption from Real-Time Time-Dependent Density Functional Theory: Optical Limiting in Zinc Phthalocyanine." The journal of physical chemistry letters vol. 7,7 (2016): 1387-91. doi: https://doi.org/10.1021/acs.jpclett.6b00282
Fischer SA, Cramer CJ, Govind N. Excited-State Absorption from Real-Time Time-Dependent Density Functional Theory: Optical Limiting in Zinc Phthalocyanine. J Phys Chem Lett. 2016 Apr 07;7(7):1387-91. doi: 10.1021/acs.jpclett.6b00282. Epub 2016 Mar 28. PMID: 27007445.
Copy Download .nbib Format: NLM
Predicting amyloid status in corticobasal syndrome using modified clinical criteria, magnetic resonance imaging and fluorodeoxyglucose positron emission tomography.

Alzheimer's research & therapy

Sha SJ, Ghosh PM, Lee SE, Corbetta-Rastelli C, Jagust WJ, Kornak J, Rankin KP, Grinberg LT, Vinters HV, Mendez MF, Dickson DW, Seeley WW, Gorno-Tempini M, Kramer J, Miller BL, Boxer AL, Rabinovici GD.
PMID: 25733984
Alzheimers Res Ther. 2015 Mar 02;7(1):8. doi: 10.1186/s13195-014-0093-y. eCollection 2015.

INTRODUCTION: Group comparisons demonstrate greater visuospatial and memory deficits and temporoparietal-predominant degeneration on neuroimaging in patients with corticobasal syndrome (CBS) found to have Alzheimer's disease (AD) pathology versus those with underlying frontotemporal lobar degeneration (FTLD). The value of these...

Cite
Sha SJ, Ghosh PM, Lee SE, et al. Predicting amyloid status in corticobasal syndrome using modified clinical criteria, magnetic resonance imaging and fluorodeoxyglucose positron emission tomography. Alzheimers Res Ther. 2015;7(1):8doi: 10.1186/s13195-014-0093-y.
Sha, S. J., Ghosh, P. M., Lee, S. E., Corbetta-Rastelli, C., Jagust, W. J., Kornak, J., Rankin, K. P., Grinberg, L. T., Vinters, H. V., Mendez, M. F., Dickson, D. W., Seeley, W. W., Gorno-Tempini, M., Kramer, J., Miller, B. L., Boxer, A. L., & Rabinovici, G. D. (2015). Predicting amyloid status in corticobasal syndrome using modified clinical criteria, magnetic resonance imaging and fluorodeoxyglucose positron emission tomography. Alzheimer's research & therapy, 7(1), 8. https://doi.org/10.1186/s13195-014-0093-y
Sha, Sharon J, et al. "Predicting amyloid status in corticobasal syndrome using modified clinical criteria, magnetic resonance imaging and fluorodeoxyglucose positron emission tomography." Alzheimer's research & therapy vol. 7,1 (2015): 8. doi: https://doi.org/10.1186/s13195-014-0093-y
Sha SJ, Ghosh PM, Lee SE, Corbetta-Rastelli C, Jagust WJ, Kornak J, Rankin KP, Grinberg LT, Vinters HV, Mendez MF, Dickson DW, Seeley WW, Gorno-Tempini M, Kramer J, Miller BL, Boxer AL, Rabinovici GD. Predicting amyloid status in corticobasal syndrome using modified clinical criteria, magnetic resonance imaging and fluorodeoxyglucose positron emission tomography. Alzheimers Res Ther. 2015 Mar 02;7(1):8. doi: 10.1186/s13195-014-0093-y. eCollection 2015. PMID: 25733984; PMCID: PMC4346122.
Copy Download .nbib Format: NLM
Correlation Between Partial Pressure of Arterial Carbon Dioxide and End Tidal Carbon Dioxide in Patients with Severe Alcohol Withdrawal.

The Ochsner journal

Yousuf T, Brinton T, Kramer J, Khan B, Ziffra J, Villines D, Shah P, Hanif T.
PMID: 26730226
Ochsner J. 2015;15(4):418-22.

BACKGROUND: Respiratory depression is a common adverse effect of benzodiazepine administration to patients with severe alcoholic withdrawal. This study was conducted to assess the value of end tidal carbon dioxide (ETCO2) levels compared to partial pressure of arterial carbon...

Cite
Yousuf T, Brinton T, Kramer J, et al. Correlation Between Partial Pressure of Arterial Carbon Dioxide and End Tidal Carbon Dioxide in Patients with Severe Alcohol Withdrawal. Ochsner J. 2015;15(4):418-22
Yousuf, T., Brinton, T., Kramer, J., Khan, B., Ziffra, J., Villines, D., Shah, P., & Hanif, T. (2015). Correlation Between Partial Pressure of Arterial Carbon Dioxide and End Tidal Carbon Dioxide in Patients with Severe Alcohol Withdrawal. The Ochsner journal, 15(4), 418-22.
Yousuf, Tariq, et al. "Correlation Between Partial Pressure of Arterial Carbon Dioxide and End Tidal Carbon Dioxide in Patients with Severe Alcohol Withdrawal." The Ochsner journal vol. 15,4 (2015): 418-22.
Yousuf T, Brinton T, Kramer J, Khan B, Ziffra J, Villines D, Shah P, Hanif T. Correlation Between Partial Pressure of Arterial Carbon Dioxide and End Tidal Carbon Dioxide in Patients with Severe Alcohol Withdrawal. Ochsner J. 2015;15(4):418-22. PMID: 26730226; PMCID: PMC4679303.
Copy Download .nbib Format: NLM
Length-Dependent Nanotransport and Charge Hopping Bottlenecks in Long Thiophene-Containing π-Conjugated Molecular Wires.

Journal of the American Chemical Society

Smith CE, Odoh SO, Ghosh S, Gagliardi L, Cramer CJ, Frisbie CD.
PMID: 26575438
J Am Chem Soc. 2015 Dec 23;137(50):15732-41. doi: 10.1021/jacs.5b07400. Epub 2015 Dec 10.

Self-assembled conjugated molecular wires containing thiophene up to 6 nm in length were grown layer-by-layer using click chemistry. Reflection-absorption infrared spectroscopy, ellipsometry and X-ray photoelectron spectroscopy were used to follow the stepwise growth. The electronic structure of the conjugated...

Cite
Smith CE, Odoh SO, Ghosh S, et al. Length-Dependent Nanotransport and Charge Hopping Bottlenecks in Long Thiophene-Containing π-Conjugated Molecular Wires. J Am Chem Soc. 2015;137(50):15732-41doi: 10.1021/jacs.5b07400.
Smith, C. E., Odoh, S. O., Ghosh, S., Gagliardi, L., Cramer, C. J., & Frisbie, C. D. (2015). Length-Dependent Nanotransport and Charge Hopping Bottlenecks in Long Thiophene-Containing π-Conjugated Molecular Wires. Journal of the American Chemical Society, 137(50), 15732-41. https://doi.org/10.1021/jacs.5b07400
Smith, Christopher E, et al. "Length-Dependent Nanotransport and Charge Hopping Bottlenecks in Long Thiophene-Containing π-Conjugated Molecular Wires." Journal of the American Chemical Society vol. 137,50 (2015): 15732-41. doi: https://doi.org/10.1021/jacs.5b07400
Smith CE, Odoh SO, Ghosh S, Gagliardi L, Cramer CJ, Frisbie CD. Length-Dependent Nanotransport and Charge Hopping Bottlenecks in Long Thiophene-Containing π-Conjugated Molecular Wires. J Am Chem Soc. 2015 Dec 23;137(50):15732-41. doi: 10.1021/jacs.5b07400. Epub 2015 Dec 10. PMID: 26575438.
Copy Download .nbib Format: NLM
Mechanism of the Polymerization of rac-Lactide by Fast Zinc Alkoxide Catalysts.

Inorganic chemistry

Stasiw DE, Luke AM, Rosen T, League AB, Mandal M, Neisen BD, Cramer CJ, Kol M, Tolman WB.
PMID: 29116765
Inorg Chem. 2017 Nov 20;56(22):14366-14372. doi: 10.1021/acs.inorgchem.7b02544. Epub 2017 Nov 08.

The ring-opening transesterification polymerization (ROTEP) of rac-lactide (rac-LA) using L

Cite
Stasiw DE, Luke AM, Rosen T, et al. Mechanism of the Polymerization of rac-Lactide by Fast Zinc Alkoxide Catalysts. Inorg Chem. 2017;56(22):14366-14372doi: 10.1021/acs.inorgchem.7b02544.
Stasiw, D. E., Luke, A. M., Rosen, T., League, A. B., Mandal, M., Neisen, B. D., Cramer, C. J., Kol, M., & Tolman, W. B. (2017). Mechanism of the Polymerization of rac-Lactide by Fast Zinc Alkoxide Catalysts. Inorganic chemistry, 56(22), 14366-14372. https://doi.org/10.1021/acs.inorgchem.7b02544
Stasiw, Daniel E, et al. "Mechanism of the Polymerization of rac-Lactide by Fast Zinc Alkoxide Catalysts." Inorganic chemistry vol. 56,22 (2017): 14366-14372. doi: https://doi.org/10.1021/acs.inorgchem.7b02544
Stasiw DE, Luke AM, Rosen T, League AB, Mandal M, Neisen BD, Cramer CJ, Kol M, Tolman WB. Mechanism of the Polymerization of rac-Lactide by Fast Zinc Alkoxide Catalysts. Inorg Chem. 2017 Nov 20;56(22):14366-14372. doi: 10.1021/acs.inorgchem.7b02544. Epub 2017 Nov 08. PMID: 29116765.
Copy Download .nbib Format: NLM
Computational electrochemistry: prediction of liquid-phase reduction potentials.

Physical chemistry chemical physics : PCCP

Marenich AV, Ho J, Coote ML, Cramer CJ, Truhlar DG.
PMID: 24958074
Phys Chem Chem Phys. 2014 Aug 07;16(29):15068-106. doi: 10.1039/c4cp01572j. Epub 2014 Jun 24.

This article reviews recent developments and applications in the area of computational electrochemistry. Our focus is on predicting the reduction potentials of electron transfer and other electrochemical reactions and half-reactions in both aqueous and nonaqueous solutions. Topics covered include...

Cite
Marenich AV, Ho J, Coote ML, et al. Computational electrochemistry: prediction of liquid-phase reduction potentials. Phys Chem Chem Phys. 2014;16(29):15068-106doi: 10.1039/c4cp01572j.
Marenich, A. V., Ho, J., Coote, M. L., Cramer, C. J., & Truhlar, D. G. (2014). Computational electrochemistry: prediction of liquid-phase reduction potentials. Physical chemistry chemical physics : PCCP, 16(29), 15068-106. https://doi.org/10.1039/c4cp01572j
Marenich, Aleksandr V, et al. "Computational electrochemistry: prediction of liquid-phase reduction potentials." Physical chemistry chemical physics : PCCP vol. 16,29 (2014): 15068-106. doi: https://doi.org/10.1039/c4cp01572j
Marenich AV, Ho J, Coote ML, Cramer CJ, Truhlar DG. Computational electrochemistry: prediction of liquid-phase reduction potentials. Phys Chem Chem Phys. 2014 Aug 07;16(29):15068-106. doi: 10.1039/c4cp01572j. Epub 2014 Jun 24. PMID: 24958074.
Copy Download .nbib Format: NLM
Polarization Effects in Aqueous and Nonaqueous Solutions.

Journal of chemical theory and computation

Marenich AV, Olson RM, Chamberlin AC, Cramer CJ, Truhlar DG.
PMID: 26636201
J Chem Theory Comput. 2007 Nov;3(6):2055-67. doi: 10.1021/ct7001539.

Polarization effects in aqueous and nonaqueous solutions were analyzed for nine neutral and three charged organic solutes by the SM8 universal implicit solvation model and class IV partial atomic charges based on Charge Model 4M (CM4M) with the M06-2X...

Cite
Marenich AV, Olson RM, Chamberlin AC, et al. Polarization Effects in Aqueous and Nonaqueous Solutions. J Chem Theory Comput. 2007;3(6):2055-67doi: 10.1021/ct7001539.
Marenich, A. V., Olson, R. M., Chamberlin, A. C., Cramer, C. J., & Truhlar, D. G. (2007). Polarization Effects in Aqueous and Nonaqueous Solutions. Journal of chemical theory and computation, 3(6), 2055-67. https://doi.org/10.1021/ct7001539
Marenich, Aleksandr V, et al. "Polarization Effects in Aqueous and Nonaqueous Solutions." Journal of chemical theory and computation vol. 3,6 (2007): 2055-67. doi: https://doi.org/10.1021/ct7001539
Marenich AV, Olson RM, Chamberlin AC, Cramer CJ, Truhlar DG. Polarization Effects in Aqueous and Nonaqueous Solutions. J Chem Theory Comput. 2007 Nov;3(6):2055-67. doi: 10.1021/ct7001539. PMID: 26636201.
Copy Download .nbib Format: NLM
Showing 1 to 12 of 800 entries