The Experts below are selected from a list of 156 Experts worldwide ranked by ideXlab platform
Robert J Levis - One of the best experts on this subject based on the ideXlab platform.
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time dependent density functional theory calculations of ehrenfest dynamics of laser controlled dissociation of no pulse length and sequential multiple single photon Processes
Journal of Physical Chemistry A, 2010Co-Authors: Wenkel Liang, Christine M Isborn, Alex Lindsay, Stanley Smith, Robert J LevisAbstract:Intense laser field controlled dissociation reactions of the nitric oxide cation (NO(+)) are studied by ab initio Ehrenfest dynamics with time-dependent density functional theory. Intense electric fields with five different pulse lengths are compared, combined with potential energy surface and density of state analysis, to reveal the effect of pulse length on the control mechanism. Controllable dissociative charge states are observed, and the correlation between the laser pulse length and the probability of sequential multiple Single-Photon Processes is presented. This work introduces a concept of using laser pulse length to control the sequential multiple Single-Photon Process.
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Time-Dependent Density Functional Theory Calculations of Ehrenfest Dynamics of Laser Controlled Dissociation of NO+: Pulse Length and Sequential Multiple Single-Photon Processes
The journal of physical chemistry. A, 2010Co-Authors: Wenkel Liang, Christine M Isborn, Alex Lindsay, Stanley Smith, Robert J LevisAbstract:Intense laser field controlled dissociation reactions of the nitric oxide cation (NO(+)) are studied by ab initio Ehrenfest dynamics with time-dependent density functional theory. Intense electric fields with five different pulse lengths are compared, combined with potential energy surface and density of state analysis, to reveal the effect of pulse length on the control mechanism. Controllable dissociative charge states are observed, and the correlation between the laser pulse length and the probability of sequential multiple Single-Photon Processes is presented. This work introduces a concept of using laser pulse length to control the sequential multiple Single-Photon Process.
Heinz Frei - One of the best experts on this subject based on the ideXlab platform.
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Highly Selective Formation of tert‐Butyl Hydroperoxide from the Reaction of Isobutane and O2 in a Zeolite under Visible Light
Chemistry - A European Journal, 1996Co-Authors: Fritz Blatter, Hai Sun, Heinz FreiAbstract:Isobutane and oxygen gas loaded into zeolite BaY react upon irradiation with green or blue light to yield tert-butyl hydroperoxide in a Single-Photon Process. This was discovered when monitoring the reaction at room temperature in situ by FT-infrared spectroscopy. Selectivity was 98%, even upon conversion of more than half of the reactants loaded into the zeolite. Diffuse reflectance spectra revealed a visible absorption tail which originates from an isobutane · O2 collision complex. It is attributed to the isobutane · O2 contact charge-transfer absorption, whose onset is shifted from the UV into the visible region by the high electrostatic field of the zeolite.
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Selective oxidation of propylene by O_2 with visible light in a zeolite
Catalysis Letters, 1995Co-Authors: Fritz Blatter, Heinz FreiAbstract:Propylene and O_2 loaded into zeolite BaY were found to react upon irradiation with green or blue light in a single photon Process. In situ monitoring by FT-infrared spectroscopy showed that allyl hydroperoxide is the predominant product at −100°C. At room temperature, acrolein, propylene oxide, and allyl hydroperoxide were observed in comparable amounts. The aldehyde and epoxide are shown to emerge from secondary thermal chemistry of the allyl hydroperoxide photoproduct. The selectivity in terms of the hydroperoxide photoproduct is very high (98% at room temperature) even at high propylene conversion. Diffuse reflectance spectra show that access to the mild oxidation path is made possible by a zeolite-induced shift of the propylene O_2 charge-transfer absorption from the UV into the visible region.
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Selective oxidation of propylene by O2 with visible light in a zeolite
Catalysis Letters, 1995Co-Authors: Fritz Blatter, Hai Sun, Heinz FreiAbstract:Propylene and O2 loaded into zeolite BaY were found to react upon irradiation with green or blue light in a single photon Process. In situ monitoring by FT-infrared spectroscopy showed that allyl hydroperoxide is the predominant product at −100°C. At room temperature, acrolein, propylene oxide, and allyl hydroperoxide were observed in comparable amounts. The aldehyde and epoxide are shown to emerge from secondary thermal chemistry of the allyl hydroperoxide photoproduct. The selectivity in terms of the hydroperoxide photoproduct is very high (98% at room temperature) even at high propylene conversion. Diffuse reflectance spectra show that access to the mild oxidation path is made possible by a zeolite-induced shift of the propylene O2 charge-transfer absorption from the UV into the visible region.
Wenkel Liang - One of the best experts on this subject based on the ideXlab platform.
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time dependent density functional theory calculations of ehrenfest dynamics of laser controlled dissociation of no pulse length and sequential multiple single photon Processes
Journal of Physical Chemistry A, 2010Co-Authors: Wenkel Liang, Christine M Isborn, Alex Lindsay, Stanley Smith, Robert J LevisAbstract:Intense laser field controlled dissociation reactions of the nitric oxide cation (NO(+)) are studied by ab initio Ehrenfest dynamics with time-dependent density functional theory. Intense electric fields with five different pulse lengths are compared, combined with potential energy surface and density of state analysis, to reveal the effect of pulse length on the control mechanism. Controllable dissociative charge states are observed, and the correlation between the laser pulse length and the probability of sequential multiple Single-Photon Processes is presented. This work introduces a concept of using laser pulse length to control the sequential multiple Single-Photon Process.
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Time-Dependent Density Functional Theory Calculations of Ehrenfest Dynamics of Laser Controlled Dissociation of NO+: Pulse Length and Sequential Multiple Single-Photon Processes
The journal of physical chemistry. A, 2010Co-Authors: Wenkel Liang, Christine M Isborn, Alex Lindsay, Stanley Smith, Robert J LevisAbstract:Intense laser field controlled dissociation reactions of the nitric oxide cation (NO(+)) are studied by ab initio Ehrenfest dynamics with time-dependent density functional theory. Intense electric fields with five different pulse lengths are compared, combined with potential energy surface and density of state analysis, to reveal the effect of pulse length on the control mechanism. Controllable dissociative charge states are observed, and the correlation between the laser pulse length and the probability of sequential multiple Single-Photon Processes is presented. This work introduces a concept of using laser pulse length to control the sequential multiple Single-Photon Process.
Christine M Isborn - One of the best experts on this subject based on the ideXlab platform.
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time dependent density functional theory calculations of ehrenfest dynamics of laser controlled dissociation of no pulse length and sequential multiple single photon Processes
Journal of Physical Chemistry A, 2010Co-Authors: Wenkel Liang, Christine M Isborn, Alex Lindsay, Stanley Smith, Robert J LevisAbstract:Intense laser field controlled dissociation reactions of the nitric oxide cation (NO(+)) are studied by ab initio Ehrenfest dynamics with time-dependent density functional theory. Intense electric fields with five different pulse lengths are compared, combined with potential energy surface and density of state analysis, to reveal the effect of pulse length on the control mechanism. Controllable dissociative charge states are observed, and the correlation between the laser pulse length and the probability of sequential multiple Single-Photon Processes is presented. This work introduces a concept of using laser pulse length to control the sequential multiple Single-Photon Process.
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Time-Dependent Density Functional Theory Calculations of Ehrenfest Dynamics of Laser Controlled Dissociation of NO+: Pulse Length and Sequential Multiple Single-Photon Processes
The journal of physical chemistry. A, 2010Co-Authors: Wenkel Liang, Christine M Isborn, Alex Lindsay, Stanley Smith, Robert J LevisAbstract:Intense laser field controlled dissociation reactions of the nitric oxide cation (NO(+)) are studied by ab initio Ehrenfest dynamics with time-dependent density functional theory. Intense electric fields with five different pulse lengths are compared, combined with potential energy surface and density of state analysis, to reveal the effect of pulse length on the control mechanism. Controllable dissociative charge states are observed, and the correlation between the laser pulse length and the probability of sequential multiple Single-Photon Processes is presented. This work introduces a concept of using laser pulse length to control the sequential multiple Single-Photon Process.
Alex Lindsay - One of the best experts on this subject based on the ideXlab platform.
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time dependent density functional theory calculations of ehrenfest dynamics of laser controlled dissociation of no pulse length and sequential multiple single photon Processes
Journal of Physical Chemistry A, 2010Co-Authors: Wenkel Liang, Christine M Isborn, Alex Lindsay, Stanley Smith, Robert J LevisAbstract:Intense laser field controlled dissociation reactions of the nitric oxide cation (NO(+)) are studied by ab initio Ehrenfest dynamics with time-dependent density functional theory. Intense electric fields with five different pulse lengths are compared, combined with potential energy surface and density of state analysis, to reveal the effect of pulse length on the control mechanism. Controllable dissociative charge states are observed, and the correlation between the laser pulse length and the probability of sequential multiple Single-Photon Processes is presented. This work introduces a concept of using laser pulse length to control the sequential multiple Single-Photon Process.
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Time-Dependent Density Functional Theory Calculations of Ehrenfest Dynamics of Laser Controlled Dissociation of NO+: Pulse Length and Sequential Multiple Single-Photon Processes
The journal of physical chemistry. A, 2010Co-Authors: Wenkel Liang, Christine M Isborn, Alex Lindsay, Stanley Smith, Robert J LevisAbstract:Intense laser field controlled dissociation reactions of the nitric oxide cation (NO(+)) are studied by ab initio Ehrenfest dynamics with time-dependent density functional theory. Intense electric fields with five different pulse lengths are compared, combined with potential energy surface and density of state analysis, to reveal the effect of pulse length on the control mechanism. Controllable dissociative charge states are observed, and the correlation between the laser pulse length and the probability of sequential multiple Single-Photon Processes is presented. This work introduces a concept of using laser pulse length to control the sequential multiple Single-Photon Process.