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Draft genome sequence and overview of the purple non sulfur bacterium Rhodopseudomonas palustris 42OL.

Standards in genomic sciences

Adessi A, Spini G, Presta L, Mengoni A, Viti C, Giovannetti L, Fani R, De Philippis R.
PMID: 26966509
Stand Genomic Sci. 2016 Mar 09;11:24. doi: 10.1186/s40793-016-0145-y. eCollection 2016.

Rhodopseudomonas palustris strain 42OL was isolated in 1973 from a sugar refinery waste treatment pond. The strain has been prevalently used for hydrogen production processes using a wide variety of waste-derived substrates, and cultured both indoors and outdoors, either...

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Adessi A, Spini G, Presta L, et al. Draft genome sequence and overview of the purple non sulfur bacterium Rhodopseudomonas palustris 42OL. Stand Genomic Sci. 2016;11:24doi: 10.1186/s40793-016-0145-y.
Adessi, A., Spini, G., Presta, L., Mengoni, A., Viti, C., Giovannetti, L., Fani, R., & De Philippis, R. (2016). Draft genome sequence and overview of the purple non sulfur bacterium Rhodopseudomonas palustris 42OL. Standards in genomic sciences, 1124. https://doi.org/10.1186/s40793-016-0145-y
Adessi, Alessandra, et al. "Draft genome sequence and overview of the purple non sulfur bacterium Rhodopseudomonas palustris 42OL." Standards in genomic sciences vol. 11 (2016): 24. doi: https://doi.org/10.1186/s40793-016-0145-y
Adessi A, Spini G, Presta L, Mengoni A, Viti C, Giovannetti L, Fani R, De Philippis R. Draft genome sequence and overview of the purple non sulfur bacterium Rhodopseudomonas palustris 42OL. Stand Genomic Sci. 2016 Mar 09;11:24. doi: 10.1186/s40793-016-0145-y. eCollection 2016. PMID: 26966509; PMCID: PMC4785650.
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Electron interactions with the focused electron beam induced processing (FEBID) precursor tungsten hexachloride.

Rapid communications in mass spectrometry : RCM

Neustetter M, da Silva FF, Denifl S.
PMID: 27060842
Rapid Commun Mass Spectrom. 2016 May 15;30(9):1139-44. doi: 10.1002/rcm.7542.

RATIONALE: Secondary electrons with an energy distribution below 100 eV are formed when high-energy particles interact with matter. In the focused electron beam induced deposition, high-energy beams are used to decompose organometallic compounds on surfaces. We investigated the electron...

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Neustetter M, da Silva FF, Denifl S. Electron interactions with the focused electron beam induced processing (FEBID) precursor tungsten hexachloride. Rapid Commun Mass Spectrom. 2016;30(9):1139-44doi: 10.1002/rcm.7542.
Neustetter, M., da Silva, F. F., & Denifl, S. (2016). Electron interactions with the focused electron beam induced processing (FEBID) precursor tungsten hexachloride. Rapid communications in mass spectrometry : RCM, 30(9), 1139-44. https://doi.org/10.1002/rcm.7542
Neustetter, Michael, et al. "Electron interactions with the focused electron beam induced processing (FEBID) precursor tungsten hexachloride." Rapid communications in mass spectrometry : RCM vol. 30,9 (2016): 1139-44. doi: https://doi.org/10.1002/rcm.7542
Neustetter M, da Silva FF, Denifl S. Electron interactions with the focused electron beam induced processing (FEBID) precursor tungsten hexachloride. Rapid Commun Mass Spectrom. 2016 May 15;30(9):1139-44. doi: 10.1002/rcm.7542. PMID: 27060842.
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Atomic-Resolution Transmission Electron Microscopic Movies for Study of Organic Molecules, Assemblies, and Reactions: The First 10 Years of Development.

Accounts of chemical research

Nakamura E.
PMID: 28481074
Acc Chem Res. 2017 Jun 20;50(6):1281-1292. doi: 10.1021/acs.accounts.7b00076. Epub 2017 May 08.

A molecule is a quantum mechanical entity. "Watching motions and reactions of a molecule with our eyes" has therefore been a dream of chemists for a century. This dream has come true with the aid of the movies of...

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Nakamura E. Atomic-Resolution Transmission Electron Microscopic Movies for Study of Organic Molecules, Assemblies, and Reactions: The First 10 Years of Development. Acc Chem Res. 2017;50(6):1281-1292doi: 10.1021/acs.accounts.7b00076.
Nakamura, E. (2017). Atomic-Resolution Transmission Electron Microscopic Movies for Study of Organic Molecules, Assemblies, and Reactions: The First 10 Years of Development. Accounts of chemical research, 50(6), 1281-1292. https://doi.org/10.1021/acs.accounts.7b00076
Nakamura, Eiichi. "Atomic-Resolution Transmission Electron Microscopic Movies for Study of Organic Molecules, Assemblies, and Reactions: The First 10 Years of Development." Accounts of chemical research vol. 50,6 (2017): 1281-1292. doi: https://doi.org/10.1021/acs.accounts.7b00076
Nakamura E. Atomic-Resolution Transmission Electron Microscopic Movies for Study of Organic Molecules, Assemblies, and Reactions: The First 10 Years of Development. Acc Chem Res. 2017 Jun 20;50(6):1281-1292. doi: 10.1021/acs.accounts.7b00076. Epub 2017 May 08. PMID: 28481074.
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A first-principle calculation of the XANES spectrum of Cu(2+) in water.

The Journal of chemical physics

La Penna G, Minicozzi V, Morante S, Rossi GC, Stellato F.
PMID: 26429025
J Chem Phys. 2015 Sep 28;143(12):124508. doi: 10.1063/1.4931808.

The progress in high performance computing we are witnessing today offers the possibility of accurate electron density calculations of systems in realistic physico-chemical conditions. In this paper, we present a strategy aimed at performing a first-principle computation of the...

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La Penna G, Minicozzi V, Morante S, et al. A first-principle calculation of the XANES spectrum of Cu(2+) in water. J Chem Phys. 2015;143(12):124508doi: 10.1063/1.4931808.
La Penna, G., Minicozzi, V., Morante, S., Rossi, G. C., & Stellato, F. (2015). A first-principle calculation of the XANES spectrum of Cu(2+) in water. The Journal of chemical physics, 143(12), 124508. https://doi.org/10.1063/1.4931808
La Penna, G, et al. "A first-principle calculation of the XANES spectrum of Cu(2+) in water." The Journal of chemical physics vol. 143,12 (2015): 124508. doi: https://doi.org/10.1063/1.4931808
La Penna G, Minicozzi V, Morante S, Rossi GC, Stellato F. A first-principle calculation of the XANES spectrum of Cu(2+) in water. J Chem Phys. 2015 Sep 28;143(12):124508. doi: 10.1063/1.4931808. PMID: 26429025.
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Decoration of gold nanoparticles with cysteine in solution: reactive molecular dynamics simulations.

Nanoscale

Monti S, Carravetta V, Ågren H.
PMID: 27305447
Nanoscale. 2016 Jul 14;8(26):12929-38. doi: 10.1039/c6nr03181a. Epub 2016 Jun 15.

The dynamics of gold nanoparticle functionalization by means of adsorption of cysteine molecules in water solution is simulated through classical reactive molecular dynamics simulations based on an accurately parametrized force field. The adsorption modes of the molecules are characterized...

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Monti S, Carravetta V, Ågren H. Decoration of gold nanoparticles with cysteine in solution: reactive molecular dynamics simulations. Nanoscale. 2016;8(26):12929-38doi: 10.1039/c6nr03181a.
Monti, S., Carravetta, V., & Ågren, H. (2016). Decoration of gold nanoparticles with cysteine in solution: reactive molecular dynamics simulations. Nanoscale, 8(26), 12929-38. https://doi.org/10.1039/c6nr03181a
Monti, Susanna, et al. "Decoration of gold nanoparticles with cysteine in solution: reactive molecular dynamics simulations." Nanoscale vol. 8,26 (2016): 12929-38. doi: https://doi.org/10.1039/c6nr03181a
Monti S, Carravetta V, Ågren H. Decoration of gold nanoparticles with cysteine in solution: reactive molecular dynamics simulations. Nanoscale. 2016 Jul 14;8(26):12929-38. doi: 10.1039/c6nr03181a. Epub 2016 Jun 15. PMID: 27305447.
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Reversal of Orbital Symmetry Control in Electrocyclic Ring Closures through Craig-Möbius Aromaticity.

Chemphyschem : a European journal of chemical physics and physical chemistry

Mauksch M, Tsogoeva SB.
PMID: 26817734
Chemphyschem. 2016 Apr 04;17(7):963-6. doi: 10.1002/cphc.201600086. Epub 2016 Feb 24.

Experimentalists are challenged to find the organometallic thermal electrocyclizations that are computationally predicted to proceed with opposite stereoselectivity compared to their metal-free parent 4n and 4n+2 π-electron systems. While ring closure of, for example, s-cis-butadiene proceeds conrotatory, an iron...

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Mauksch M, Tsogoeva SB. Reversal of Orbital Symmetry Control in Electrocyclic Ring Closures through Craig-Möbius Aromaticity. Chemphyschem. 2016;17(7):963-6doi: 10.1002/cphc.201600086.
Mauksch, M., & Tsogoeva, S. B. (2016). Reversal of Orbital Symmetry Control in Electrocyclic Ring Closures through Craig-Möbius Aromaticity. Chemphyschem : a European journal of chemical physics and physical chemistry, 17(7), 963-6. https://doi.org/10.1002/cphc.201600086
Mauksch, Michael, and Tsogoeva, Svetlana B. "Reversal of Orbital Symmetry Control in Electrocyclic Ring Closures through Craig-Möbius Aromaticity." Chemphyschem : a European journal of chemical physics and physical chemistry vol. 17,7 (2016): 963-6. doi: https://doi.org/10.1002/cphc.201600086
Mauksch M, Tsogoeva SB. Reversal of Orbital Symmetry Control in Electrocyclic Ring Closures through Craig-Möbius Aromaticity. Chemphyschem. 2016 Apr 04;17(7):963-6. doi: 10.1002/cphc.201600086. Epub 2016 Feb 24. PMID: 26817734.
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Understanding of multimetallic cluster growth.

Nature communications

Mitzinger S, Broeckaert L, Massa W, Weigend F, Dehnen S.
PMID: 26805602
Nat Commun. 2016 Jan 25;7:10480. doi: 10.1038/ncomms10480.

The elucidation of formation mechanisms is mandatory for understanding and planning of synthetic routes. For (bio-)organic and organometallic compounds, this has long been realized even for very complicated molecules, whereas the formation of ligand-free inorganic molecules has widely remained...

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Mitzinger S, Broeckaert L, Massa W, et al. Understanding of multimetallic cluster growth. Nat Commun. 2016;7:10480doi: 10.1038/ncomms10480.
Mitzinger, S., Broeckaert, L., Massa, W., Weigend, F., & Dehnen, S. (2016). Understanding of multimetallic cluster growth. Nature communications, 710480. https://doi.org/10.1038/ncomms10480
Mitzinger, Stefan, et al. "Understanding of multimetallic cluster growth." Nature communications vol. 7 (2016): 10480. doi: https://doi.org/10.1038/ncomms10480
Mitzinger S, Broeckaert L, Massa W, Weigend F, Dehnen S. Understanding of multimetallic cluster growth. Nat Commun. 2016 Jan 25;7:10480. doi: 10.1038/ncomms10480. PMID: 26805602; PMCID: PMC4737759.
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Carbon-Carbon Bond Formation in a Weak Ligand Field: Leveraging Open-Shell First-Row Transition-Metal Catalysts.

Angewandte Chemie (International ed. in English)

Chirik PJ.
PMID: 28081286
Angew Chem Int Ed Engl. 2017 May 02;56(19):5170-5181. doi: 10.1002/anie.201611959. Epub 2017 Mar 30.

Unique features of earth-abundant transition-metal catalysts are reviewed in the context of catalytic carbon-carbon bond-forming reactions. Aryl-substituted bis(imino)pyridine iron and cobalt dihalide compounds, when activated with alkyl aluminum reagents, form highly active catalysts for the polymerization of ethylene. Open-shell...

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Chirik PJ. Carbon-Carbon Bond Formation in a Weak Ligand Field: Leveraging Open-Shell First-Row Transition-Metal Catalysts. Angew Chem Int Ed Engl. 2017;56(19):5170-5181doi: 10.1002/anie.201611959.
Chirik, P. J. (2017). Carbon-Carbon Bond Formation in a Weak Ligand Field: Leveraging Open-Shell First-Row Transition-Metal Catalysts. Angewandte Chemie (International ed. in English), 56(19), 5170-5181. https://doi.org/10.1002/anie.201611959
Chirik, Paul J. "Carbon-Carbon Bond Formation in a Weak Ligand Field: Leveraging Open-Shell First-Row Transition-Metal Catalysts." Angewandte Chemie (International ed. in English) vol. 56,19 (2017): 5170-5181. doi: https://doi.org/10.1002/anie.201611959
Chirik PJ. Carbon-Carbon Bond Formation in a Weak Ligand Field: Leveraging Open-Shell First-Row Transition-Metal Catalysts. Angew Chem Int Ed Engl. 2017 May 02;56(19):5170-5181. doi: 10.1002/anie.201611959. Epub 2017 Mar 30. PMID: 28081286.
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Ammonia-Borane and Amine-Borane Dehydrogenation Mediated by Complex Metal Hydrides.

Chemical reviews

Rossin A, Peruzzini M.
PMID: 27075435
Chem Rev. 2016 Aug 10;116(15):8848-72. doi: 10.1021/acs.chemrev.6b00043. Epub 2016 Apr 14.

This review is a comprehensive survey of the last 10 years of research on ammonia-borane and amine-borane dehydrogenation mediated by complex metal hydrides (CMHs), within the broader context of chemical hydrogen storage. The review also collects those cases where...

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Rossin A, Peruzzini M. Ammonia-Borane and Amine-Borane Dehydrogenation Mediated by Complex Metal Hydrides. Chem Rev. 2016;116(15):8848-72doi: 10.1021/acs.chemrev.6b00043.
Rossin, A., & Peruzzini, M. (2016). Ammonia-Borane and Amine-Borane Dehydrogenation Mediated by Complex Metal Hydrides. Chemical reviews, 116(15), 8848-72. https://doi.org/10.1021/acs.chemrev.6b00043
Rossin, Andrea, and Peruzzini, Maurizio. "Ammonia-Borane and Amine-Borane Dehydrogenation Mediated by Complex Metal Hydrides." Chemical reviews vol. 116,15 (2016): 8848-72. doi: https://doi.org/10.1021/acs.chemrev.6b00043
Rossin A, Peruzzini M. Ammonia-Borane and Amine-Borane Dehydrogenation Mediated by Complex Metal Hydrides. Chem Rev. 2016 Aug 10;116(15):8848-72. doi: 10.1021/acs.chemrev.6b00043. Epub 2016 Apr 14. PMID: 27075435.
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Phase Diagram and Transformations of Iron Pentacarbonyl to nm Layered Hematite and Carbon-Oxygen Polymer under Pressure.

Scientific reports

Ryu YJ, Kim M, Yoo CS.
PMID: 26456761
Sci Rep. 2015 Oct 12;5:15139. doi: 10.1038/srep15139.

We present the phase diagram of Fe(CO)5, consisting of three molecular polymorphs (phase I, II and III) and an extended polymeric phase that can be recovered at ambient condition. The phase diagram indicates a limited stability of Fe(CO)5 within...

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Ryu YJ, Kim M, Yoo CS. Phase Diagram and Transformations of Iron Pentacarbonyl to nm Layered Hematite and Carbon-Oxygen Polymer under Pressure. Sci Rep. 2015;5:15139doi: 10.1038/srep15139.
Ryu, Y. J., Kim, M., & Yoo, C. S. (2015). Phase Diagram and Transformations of Iron Pentacarbonyl to nm Layered Hematite and Carbon-Oxygen Polymer under Pressure. Scientific reports, 515139. https://doi.org/10.1038/srep15139
Ryu, Young Jay, et al. "Phase Diagram and Transformations of Iron Pentacarbonyl to nm Layered Hematite and Carbon-Oxygen Polymer under Pressure." Scientific reports vol. 5 (2015): 15139. doi: https://doi.org/10.1038/srep15139
Ryu YJ, Kim M, Yoo CS. Phase Diagram and Transformations of Iron Pentacarbonyl to nm Layered Hematite and Carbon-Oxygen Polymer under Pressure. Sci Rep. 2015 Oct 12;5:15139. doi: 10.1038/srep15139. PMID: 26456761; PMCID: PMC4601022.
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Electron ionization mass spectrometric analysis of air- and moisture-sensitive organometallic compounds.

Dalton transactions (Cambridge, England : 2003)

Penafiel J, Hesketh AV, Granot O, Scott McIndoe J.
PMID: 27722585
Dalton Trans. 2016 Oct 04;45(39):15552-15556. doi: 10.1039/c6dt03020c.

Electron ionization (EI) is a reliable mass spectrometric method for the analysis of the vast majority of thermally stable and volatile compounds. In direct EI-MS, the sample is placed into the probe and introduced to the source. For air-...

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Penafiel J, Hesketh AV, Granot O, et al. Electron ionization mass spectrometric analysis of air- and moisture-sensitive organometallic compounds. Dalton Trans. 2016;45(39):15552-15556doi: 10.1039/c6dt03020c.
Penafiel, J., Hesketh, A. V., Granot, O., & Scott McIndoe, J. (2016). Electron ionization mass spectrometric analysis of air- and moisture-sensitive organometallic compounds. Dalton transactions (Cambridge, England : 2003), 45(39), 15552-15556. https://doi.org/10.1039/c6dt03020c
Penafiel, Johanne, et al. "Electron ionization mass spectrometric analysis of air- and moisture-sensitive organometallic compounds." Dalton transactions (Cambridge, England : 2003) vol. 45,39 (2016): 15552-15556. doi: https://doi.org/10.1039/c6dt03020c
Penafiel J, Hesketh AV, Granot O, Scott McIndoe J. Electron ionization mass spectrometric analysis of air- and moisture-sensitive organometallic compounds. Dalton Trans. 2016 Oct 04;45(39):15552-15556. doi: 10.1039/c6dt03020c. PMID: 27722585.
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Parametrization of a Reactive Force Field (ReaxFF) for Molecular Dynamics Simulations of Si Nanoparticles.

Journal of chemical theory and computation

Barcaro G, Monti S, Sementa L, Carravetta V.
PMID: 28640604
J Chem Theory Comput. 2017 Aug 08;13(8):3854-3861. doi: 10.1021/acs.jctc.7b00445. Epub 2017 Jul 06.

A novel computational approach, based on classical reactive molecular dynamics simulations (RMD) and quantum chemistry (QC) global energy optimizations, is proposed for modeling large Si nanoparticles. The force field parameters, which can describe bond breaking and formation, are derived...

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Barcaro G, Monti S, Sementa L, et al. Parametrization of a Reactive Force Field (ReaxFF) for Molecular Dynamics Simulations of Si Nanoparticles. J Chem Theory Comput. 2017;13(8):3854-3861doi: 10.1021/acs.jctc.7b00445.
Barcaro, G., Monti, S., Sementa, L., & Carravetta, V. (2017). Parametrization of a Reactive Force Field (ReaxFF) for Molecular Dynamics Simulations of Si Nanoparticles. Journal of chemical theory and computation, 13(8), 3854-3861. https://doi.org/10.1021/acs.jctc.7b00445
Barcaro, Giovanni, et al. "Parametrization of a Reactive Force Field (ReaxFF) for Molecular Dynamics Simulations of Si Nanoparticles." Journal of chemical theory and computation vol. 13,8 (2017): 3854-3861. doi: https://doi.org/10.1021/acs.jctc.7b00445
Barcaro G, Monti S, Sementa L, Carravetta V. Parametrization of a Reactive Force Field (ReaxFF) for Molecular Dynamics Simulations of Si Nanoparticles. J Chem Theory Comput. 2017 Aug 08;13(8):3854-3861. doi: 10.1021/acs.jctc.7b00445. Epub 2017 Jul 06. PMID: 28640604.
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Showing 1 to 12 of 449 entries