Advanced Search
Display options
Filter resources
Text Availability
Article type
Publication date
Species
Language
Sex
Age
Showing 1 to 12 of 286 entries
Sorted by: Best Match Show Resources per page
Grafting trimethylaluminum and its halogen derivatives on silica: general trends for (27)Al SS-NMR response from first principles calculations.

Physical chemistry chemical physics : PCCP

Kerber RN, Kerber T, Rozanska X, Delbecq F, Sautet P.
PMID: 26403260
Phys Chem Chem Phys. 2015 Oct 28;17(40):26937-45. doi: 10.1039/c5cp04109k.

(27)Al NMR is the method of choice for studying grafted Al species on a large area solid support, such as co-catalysts for α-olefin oligomerization involving mesoporous silica materials. Here, we show how to interpret the (27)Al solid-state NMR spectrum...

Cite
Kerber RN, Kerber T, Rozanska X, et al. Grafting trimethylaluminum and its halogen derivatives on silica: general trends for (27)Al SS-NMR response from first principles calculations. Phys Chem Chem Phys. 2015;17(40):26937-45doi: 10.1039/c5cp04109k.
Kerber, R. N., Kerber, T., Rozanska, X., Delbecq, F., & Sautet, P. (2015). Grafting trimethylaluminum and its halogen derivatives on silica: general trends for (27)Al SS-NMR response from first principles calculations. Physical chemistry chemical physics : PCCP, 17(40), 26937-45. https://doi.org/10.1039/c5cp04109k
Kerber, Rachel Nathaniel, et al. "Grafting trimethylaluminum and its halogen derivatives on silica: general trends for (27)Al SS-NMR response from first principles calculations." Physical chemistry chemical physics : PCCP vol. 17,40 (2015): 26937-45. doi: https://doi.org/10.1039/c5cp04109k
Kerber RN, Kerber T, Rozanska X, Delbecq F, Sautet P. Grafting trimethylaluminum and its halogen derivatives on silica: general trends for (27)Al SS-NMR response from first principles calculations. Phys Chem Chem Phys. 2015 Oct 28;17(40):26937-45. doi: 10.1039/c5cp04109k. PMID: 26403260.
Copy Download .nbib Format: NLM
Endophytic Fungi Isolated from Coleus amboinicus Lour Exhibited Antimicrobial Activity.

Advanced pharmaceutical bulletin

Astuti P, Sudarsono S, Nisak K, Nugroho GW.
PMID: 25671195
Adv Pharm Bull. 2014 Dec;4:599-605. doi: 10.5681/apb.2014.088. Epub 2014 Dec 31.

PURPOSE: Coleus amboinicus is a medicinal plant traditionally used to treat various diseases such as throat infection, cough and fever, diarrhea, nasal congestion and digestive problems. The plant was explored for endophytic fungi producing antimicrobial agents.METHODS: Screening for endophytic...

Cite
Astuti P, Sudarsono S, Nisak K, et al. Endophytic Fungi Isolated from Coleus amboinicus Lour Exhibited Antimicrobial Activity. Adv Pharm Bull. 2014;4:599-605doi: 10.5681/apb.2014.088.
Astuti, P., Sudarsono, S., Nisak, K., & Nugroho, G. W. (2014). Endophytic Fungi Isolated from Coleus amboinicus Lour Exhibited Antimicrobial Activity. Advanced pharmaceutical bulletin, 4599-605. https://doi.org/10.5681/apb.2014.088
Astuti, Puji, et al. "Endophytic Fungi Isolated from Coleus amboinicus Lour Exhibited Antimicrobial Activity." Advanced pharmaceutical bulletin vol. 4 (2014): 599-605. doi: https://doi.org/10.5681/apb.2014.088
Astuti P, Sudarsono S, Nisak K, Nugroho GW. Endophytic Fungi Isolated from Coleus amboinicus Lour Exhibited Antimicrobial Activity. Adv Pharm Bull. 2014 Dec;4:599-605. doi: 10.5681/apb.2014.088. Epub 2014 Dec 31. PMID: 25671195; PMCID: PMC4312411.
Copy Download .nbib Format: NLM
Rapid carbon mineralization for permanent disposal of anthropogenic carbon dioxide emissions.

Science (New York, N.Y.)

Matter JM, Stute M, Snæbjörnsdottir SÓ, Oelkers EH, Gislason SR, Aradottir ES, Sigfusson B, Gunnarsson I, Sigurdardottir H, Gunnlaugsson E, Axelsson G, Alfredsson HA, Wolff-Boenisch D, Mesfin K, Fernandez de la Reguera Taya D, Hall J, Dideriksen K, Broecker WS.
PMID: 27284192
Science. 2016 Jun 10;352(6291):1312-4. doi: 10.1126/science.aad8132.

Carbon capture and storage (CCS) provides a solution toward decarbonization of the global economy. The success of this solution depends on the ability to safely and permanently store CO2 This study demonstrates for the first time the permanent disposal...

Cite
Matter JM, Stute M, Snæbjörnsdottir SÓ, et al. Rapid carbon mineralization for permanent disposal of anthropogenic carbon dioxide emissions. Science. 2016;352(6291):1312-4doi: 10.1126/science.aad8132.
Matter, J. M., Stute, M., Snæbjörnsdottir, S. �. �., Oelkers, E. H., Gislason, S. R., Aradottir, E. S., Sigfusson, B., Gunnarsson, I., Sigurdardottir, H., Gunnlaugsson, E., Axelsson, G., Alfredsson, H. A., Wolff-Boenisch, D., Mesfin, K., Fernandez de la Reguera Taya, D., Hall, J., Dideriksen, K., & Broecker, W. S. (2016). Rapid carbon mineralization for permanent disposal of anthropogenic carbon dioxide emissions. Science (New York, N.Y.), 352(6291), 1312-4. https://doi.org/10.1126/science.aad8132
Matter, Juerg M, et al. "Rapid carbon mineralization for permanent disposal of anthropogenic carbon dioxide emissions." Science (New York, N.Y.) vol. 352,6291 (2016): 1312-4. doi: https://doi.org/10.1126/science.aad8132
Matter JM, Stute M, Snæbjörnsdottir SÓ, Oelkers EH, Gislason SR, Aradottir ES, Sigfusson B, Gunnarsson I, Sigurdardottir H, Gunnlaugsson E, Axelsson G, Alfredsson HA, Wolff-Boenisch D, Mesfin K, Fernandez de la Reguera Taya D, Hall J, Dideriksen K, Broecker WS. Rapid carbon mineralization for permanent disposal of anthropogenic carbon dioxide emissions. Science. 2016 Jun 10;352(6291):1312-4. doi: 10.1126/science.aad8132. PMID: 27284192.
Copy Download .nbib Format: NLM
Molecular adsorption at Pt(111). How accurate are DFT functionals?.

Physical chemistry chemical physics : PCCP

Gautier S, Steinmann SN, Michel C, Fleurat-Lessard P, Sautet P.
PMID: 26455444
Phys Chem Chem Phys. 2015 Nov 21;17(43):28921-30. doi: 10.1039/c5cp04534g.

Molecular chemisorption at a metal surface is a key step for many processes, such as catalysis, electrochemistry, surface treatment, tribology and friction. Modeling with density functional theory is largely used on these systems. From a detailed comparison with accurate...

Cite
Gautier S, Steinmann SN, Michel C, et al. Molecular adsorption at Pt(111). How accurate are DFT functionals?. Phys Chem Chem Phys. 2015;17(43):28921-30doi: 10.1039/c5cp04534g.
Gautier, S., Steinmann, S. N., Michel, C., Fleurat-Lessard, P., & Sautet, P. (2015). Molecular adsorption at Pt(111). How accurate are DFT functionals?. Physical chemistry chemical physics : PCCP, 17(43), 28921-30. https://doi.org/10.1039/c5cp04534g
Gautier, Sarah, et al. "Molecular adsorption at Pt(111). How accurate are DFT functionals?." Physical chemistry chemical physics : PCCP vol. 17,43 (2015): 28921-30. doi: https://doi.org/10.1039/c5cp04534g
Gautier S, Steinmann SN, Michel C, Fleurat-Lessard P, Sautet P. Molecular adsorption at Pt(111). How accurate are DFT functionals?. Phys Chem Chem Phys. 2015 Nov 21;17(43):28921-30. doi: 10.1039/c5cp04534g. PMID: 26455444.
Copy Download .nbib Format: NLM
Electronic properties of PbX₃CH₃NH₃ (X = Cl, Br, I) compounds for photovoltaic and photocatalytic applications.

Physical chemistry chemical physics : PCCP

Melissen ST, Labat F, Sautet P, Le Bahers T.
PMID: 25483273
Phys Chem Chem Phys. 2015 Jan 21;17(3):2199-209. doi: 10.1039/c4cp04666h. Epub 2014 Dec 08.

Since the discovery of their excellent performance as the light-absorbing semiconducting component in photovoltaic cells, the PbX3CH3NH3 (X = I, Br, Cl) perovskites have received renewed attention. The five polymorphs stable above 200 K - the tetragonal phases for...

Cite
Melissen ST, Labat F, Sautet P, et al. Electronic properties of PbX₃CH₃NH₃ (X = Cl, Br, I) compounds for photovoltaic and photocatalytic applications. Phys Chem Chem Phys. 2014;17(3):2199-209doi: 10.1039/c4cp04666h.
Melissen, S. T., Labat, F., Sautet, P., & Le Bahers, T. (2015). Electronic properties of PbX₃CH₃NH₃ (X = Cl, Br, I) compounds for photovoltaic and photocatalytic applications. Physical chemistry chemical physics : PCCP, 17(3), 2199-209. https://doi.org/10.1039/c4cp04666h
Melissen, Sigismund Teunis Alexander George, et al. "Electronic properties of PbX₃CH₃NH₃ (X = Cl, Br, I) compounds for photovoltaic and photocatalytic applications." Physical chemistry chemical physics : PCCP vol. 17,3 (2015): 2199-209. doi: https://doi.org/10.1039/c4cp04666h
Melissen ST, Labat F, Sautet P, Le Bahers T. Electronic properties of PbX₃CH₃NH₃ (X = Cl, Br, I) compounds for photovoltaic and photocatalytic applications. Phys Chem Chem Phys. 2015 Jan 21;17(3):2199-209. doi: 10.1039/c4cp04666h. Epub 2014 Dec 08. PMID: 25483273.
Copy Download .nbib Format: NLM
Can Dynamics Be Responsible for the Complex Multipeak Infrared Spectra of NO Adsorbed to Copper(II) Sites in Zeolites?.

Angewandte Chemie (International ed. in English)

Göltl F, Sautet P, Hermans I.
PMID: 25966680
Angew Chem Int Ed Engl. 2015 Jun 26;54(27):7799-804. doi: 10.1002/anie.201501942. Epub 2015 May 12.

Copper-exchanged SSZ-13 is a very efficient material in the selective catalytic reduction of NO(x) using ammonia (deNO(x)-SCR) and characterizing the underlying distribution of copper sites in the material is of prime importance to understand its activity. The IR spectrum...

Cite
Göltl F, Sautet P, Hermans I. Can Dynamics Be Responsible for the Complex Multipeak Infrared Spectra of NO Adsorbed to Copper(II) Sites in Zeolites?. Angew Chem Int Ed Engl. 2015;54(27):7799-804doi: 10.1002/anie.201501942.
Göltl, F., Sautet, P., & Hermans, I. (2015). Can Dynamics Be Responsible for the Complex Multipeak Infrared Spectra of NO Adsorbed to Copper(II) Sites in Zeolites?. Angewandte Chemie (International ed. in English), 54(27), 7799-804. https://doi.org/10.1002/anie.201501942
Göltl, Florian, et al. "Can Dynamics Be Responsible for the Complex Multipeak Infrared Spectra of NO Adsorbed to Copper(II) Sites in Zeolites?." Angewandte Chemie (International ed. in English) vol. 54,27 (2015): 7799-804. doi: https://doi.org/10.1002/anie.201501942
Göltl F, Sautet P, Hermans I. Can Dynamics Be Responsible for the Complex Multipeak Infrared Spectra of NO Adsorbed to Copper(II) Sites in Zeolites?. Angew Chem Int Ed Engl. 2015 Jun 26;54(27):7799-804. doi: 10.1002/anie.201501942. Epub 2015 May 12. PMID: 25966680.
Copy Download .nbib Format: NLM
Can orthopedic oncologists predict functional outcome in patients with sarcoma after limb salvage surgery in the lower limb? A nationwide study.

Sarcoma

Kolk S, Cox K, Weerdesteyn V, Hannink G, Bramer J, Dijkstra S, Jutte P, Ploegmakers J, van de Sande M, Schreuder H, Verdonschot N, van der Geest I.
PMID: 25484599
Sarcoma. 2014;2014:436598. doi: 10.1155/2014/436598. Epub 2014 Nov 18.

Accurate predictions of functional outcome after limb salvage surgery (LSS) in the lower limb are important for several reasons, including informing the patient preoperatively and, in some cases, deciding between amputation and LSS. This study aimed to elucidate the...

Cite
Kolk S, Cox K, Weerdesteyn V, et al. Can orthopedic oncologists predict functional outcome in patients with sarcoma after limb salvage surgery in the lower limb? A nationwide study. Sarcoma. 2014;2014:436598doi: 10.1155/2014/436598.
Kolk, S., Cox, K., Weerdesteyn, V., Hannink, G., Bramer, J., Dijkstra, S., Jutte, P., Ploegmakers, J., van de Sande, M., Schreuder, H., Verdonschot, N., & van der Geest, I. (2014). Can orthopedic oncologists predict functional outcome in patients with sarcoma after limb salvage surgery in the lower limb? A nationwide study. Sarcoma, 2014436598. https://doi.org/10.1155/2014/436598
Kolk, Sjoerd, et al. "Can orthopedic oncologists predict functional outcome in patients with sarcoma after limb salvage surgery in the lower limb? A nationwide study." Sarcoma vol. 2014 (2014): 436598. doi: https://doi.org/10.1155/2014/436598
Kolk S, Cox K, Weerdesteyn V, Hannink G, Bramer J, Dijkstra S, Jutte P, Ploegmakers J, van de Sande M, Schreuder H, Verdonschot N, van der Geest I. Can orthopedic oncologists predict functional outcome in patients with sarcoma after limb salvage surgery in the lower limb? A nationwide study. Sarcoma. 2014;2014:436598. doi: 10.1155/2014/436598. Epub 2014 Nov 18. PMID: 25484599; PMCID: PMC4251794.
Copy Download .nbib Format: NLM
Controlling the Adsorption of Aromatic Compounds on Pt(111) with Oxygenate Substituents: From DFT to Simple Molecular Descriptors.

The journal of physical chemistry letters

Réocreux R, Huynh M, Michel C, Sautet P.
PMID: 27206155
J Phys Chem Lett. 2016 Jun 02;7(11):2074-9. doi: 10.1021/acs.jpclett.6b00612. Epub 2016 May 20.

Aromatic chemistry on metallic surfaces is involved in many processes within the contexts of biomass valorization, pollutant degradation, or corrosion protection. Albeit theoretically and experimentally challenging, knowing the structure and the stability of aromatic compounds on such surfaces is...

Cite
Réocreux R, Huynh M, Michel C, et al. Controlling the Adsorption of Aromatic Compounds on Pt(111) with Oxygenate Substituents: From DFT to Simple Molecular Descriptors. J Phys Chem Lett. 2016;7(11):2074-9doi: 10.1021/acs.jpclett.6b00612.
Réocreux, R., Huynh, M., Michel, C., & Sautet, P. (2016). Controlling the Adsorption of Aromatic Compounds on Pt(111) with Oxygenate Substituents: From DFT to Simple Molecular Descriptors. The journal of physical chemistry letters, 7(11), 2074-9. https://doi.org/10.1021/acs.jpclett.6b00612
Réocreux, Romain, et al. "Controlling the Adsorption of Aromatic Compounds on Pt(111) with Oxygenate Substituents: From DFT to Simple Molecular Descriptors." The journal of physical chemistry letters vol. 7,11 (2016): 2074-9. doi: https://doi.org/10.1021/acs.jpclett.6b00612
Réocreux R, Huynh M, Michel C, Sautet P. Controlling the Adsorption of Aromatic Compounds on Pt(111) with Oxygenate Substituents: From DFT to Simple Molecular Descriptors. J Phys Chem Lett. 2016 Jun 02;7(11):2074-9. doi: 10.1021/acs.jpclett.6b00612. Epub 2016 May 20. PMID: 27206155.
Copy Download .nbib Format: NLM
[No title available]

Environmental chemistry (Collingwood, Vic.)

Wovkulich K, Stute M, Mailloux BJ, Keimowitz AR, Ross J, Bostick B, Sun J, Chillrud SN.
PMID: 25598701
Environ Chem. 2014 Sep 25;11(5):525-537. doi: 10.1071/EN13222.

Arsenic is a prevalent contaminant at a large number of US Superfund sites; establishing techniques that accelerate As remediation could benefit many sites. Hundreds of tons of As were released into the environment by the Vineland Chemical Co. in...

Cite
Wovkulich K, Stute M, Mailloux BJ, et al. . Environ Chem. 2014;11(5):525-537doi: 10.1071/EN13222.
Wovkulich, K., Stute, M., Mailloux, B. J., Keimowitz, A. R., Ross, J., Bostick, B., Sun, J., & Chillrud, S. N. (2014). . Environmental chemistry (Collingwood, Vic.), 11(5), 525-537. https://doi.org/10.1071/EN13222
Wovkulich, Karen, et al. "." Environmental chemistry (Collingwood, Vic.) vol. 11,5 (2014): 525-537. doi: https://doi.org/10.1071/EN13222
Wovkulich K, Stute M, Mailloux BJ, Keimowitz AR, Ross J, Bostick B, Sun J, Chillrud SN. . Environ Chem. 2014 Sep 25;11(5):525-537. doi: 10.1071/EN13222. PMID: 25598701; PMCID: PMC4294815.
Copy Download .nbib Format: NLM
Correction: Unconventional Gas and Oil Drilling Is Associated with Increased Hospital Utilization Rates.

PloS one

Jemielita T, Gerton GL, Neidell M, Chillrud S, Yan B, Stute M, Howarth M, Saberi P, Fausti N, Penning TM, Roy J, Propert KJ, Panettieri RA.
PMID: 26317358
PLoS One. 2015 Aug 28;10(8):e0137371. doi: 10.1371/journal.pone.0137371. eCollection 2015.

No abstract available.

Cite
Jemielita T, Gerton GL, Neidell M, et al. Correction: Unconventional Gas and Oil Drilling Is Associated with Increased Hospital Utilization Rates. PLoS One. 2015;10(8):e0137371doi: 10.1371/journal.pone.0137371.
Jemielita, T., Gerton, G. L., Neidell, M., Chillrud, S., Yan, B., Stute, M., Howarth, M., Saberi, P., Fausti, N., Penning, T. M., Roy, J., Propert, K. J., & Panettieri, R. A. (2015). Correction: Unconventional Gas and Oil Drilling Is Associated with Increased Hospital Utilization Rates. PloS one, 10(8), e0137371. https://doi.org/10.1371/journal.pone.0137371
Jemielita, Thomas, et al. "Correction: Unconventional Gas and Oil Drilling Is Associated with Increased Hospital Utilization Rates." PloS one vol. 10,8 (2015): e0137371. doi: https://doi.org/10.1371/journal.pone.0137371
Jemielita T, Gerton GL, Neidell M, Chillrud S, Yan B, Stute M, Howarth M, Saberi P, Fausti N, Penning TM, Roy J, Propert KJ, Panettieri RA. Correction: Unconventional Gas and Oil Drilling Is Associated with Increased Hospital Utilization Rates. PLoS One. 2015 Aug 28;10(8):e0137371. doi: 10.1371/journal.pone.0137371. eCollection 2015. PMID: 26317358; PMCID: PMC4552724.
Copy Download .nbib Format: NLM
Surface temperature dependence of rotational excitation of H(2) scattered from Pd(111).

Physical review letters

Busnengo HF, Dong W, Sautet P, Salin A.
PMID: 11580558
Phys Rev Lett. 2001 Sep 17;87(12):127601. doi: 10.1103/PhysRevLett.87.127601. Epub 2001 Aug 30.

Classical dynamics simulations are performed to study rotational excitation of H(2) scattered from Pd(111), taking into account energy exchange with surface phonons through a 3D surface oscillator model. We show that dynamic trapping, identified recently in the study of...

Cite
Busnengo HF, Dong W, Sautet P, et al. Surface temperature dependence of rotational excitation of H(2) scattered from Pd(111). Phys Rev Lett. 2001;87(12):127601doi: 10.1103/PhysRevLett.87.127601.
Busnengo, H. F., Dong, W., Sautet, P., & Salin, A. (2001). Surface temperature dependence of rotational excitation of H(2) scattered from Pd(111). Physical review letters, 87(12), 127601. https://doi.org/10.1103/PhysRevLett.87.127601
Busnengo, H F, et al. "Surface temperature dependence of rotational excitation of H(2) scattered from Pd(111)." Physical review letters vol. 87,12 (2001): 127601. doi: https://doi.org/10.1103/PhysRevLett.87.127601
Busnengo HF, Dong W, Sautet P, Salin A. Surface temperature dependence of rotational excitation of H(2) scattered from Pd(111). Phys Rev Lett. 2001 Sep 17;87(12):127601. doi: 10.1103/PhysRevLett.87.127601. Epub 2001 Aug 30. PMID: 11580558.
Copy Download .nbib Format: NLM
Stability of chiral domains produced by adsorption of tartaric acid isomers on the Cu(110) surface: a periodic density functional theory study.

Journal of the American Chemical Society

Barbosa LA, Sautet P.
PMID: 11439051
J Am Chem Soc. 2001 Jul 11;123(27):6639-48. doi: 10.1021/ja004336k.

In the present work the interaction of different bitartrate isomers on the Cu(110) surface has been investigated systematically by using the Vienna Ab-initio Simulation Package (VASP), which performs periodical density functional theory (DFT) calculations. Among all bitartrate isomers the...

Cite
Barbosa LA, Sautet P. Stability of chiral domains produced by adsorption of tartaric acid isomers on the Cu(110) surface: a periodic density functional theory study. J Am Chem Soc. 2001;123(27):6639-48doi: 10.1021/ja004336k.
Barbosa, L. A., & Sautet, P. (2001). Stability of chiral domains produced by adsorption of tartaric acid isomers on the Cu(110) surface: a periodic density functional theory study. Journal of the American Chemical Society, 123(27), 6639-48. https://doi.org/10.1021/ja004336k
Barbosa, L A, and Sautet, P. "Stability of chiral domains produced by adsorption of tartaric acid isomers on the Cu(110) surface: a periodic density functional theory study." Journal of the American Chemical Society vol. 123,27 (2001): 6639-48. doi: https://doi.org/10.1021/ja004336k
Barbosa LA, Sautet P. Stability of chiral domains produced by adsorption of tartaric acid isomers on the Cu(110) surface: a periodic density functional theory study. J Am Chem Soc. 2001 Jul 11;123(27):6639-48. doi: 10.1021/ja004336k. PMID: 11439051.
Copy Download .nbib Format: NLM
Showing 1 to 12 of 286 entries