Search Results - "Krause, Jeffrey L."

Molecular Dynamics of Poly(benzylphenyl ether) Dendrimers:  Effects of Backfolding on Förster Energy-Transfer Rates by Ortiz, Wilfredo, Roitberg, Adrian E, Krause, Jeffrey L

“…We present the results of structural studies of poly(benzylphenyl ether) dendrimers (PBPE dendrimers) using classical molecular dynamics simulations…”
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Quantum Control of NaI Photodissociation Reaction Product States by Ultrafast Tailored Light Pulses by Bardeen, Christopher J, Che, Jianwei, Wilson, Kent R, Yakovlev, Vladislav V, Cong, Peijun, Kohler, Bern, Krause, Jeffrey L, Messina, Michael

“…Recent experiments by Herek, Materny and Zewail [Chem. Phys. Lett. 1994, 228, 15] have demonstrated that the timing between two transform-limited, ultrafast…”
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Theoretical Studies of Short Polyproline Systems: Recalibration of a Molecular Ruler by Dolghih, Elena, Ortiz, Wilfredo, Kim, Seonah, Krueger, Brent P, Krause, Jeffrey L, Roitberg, Adrian E

“…FRET experiments enable studies of the chemical and physical properties of individual molecules, which has long been a dream of chemists. However, these modern…”
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Atomistic Origins of Molecular Memristors by Agapito, Luis A, Alkis, Sabri, Krause, Jeffrey L, Cheng, Hai-Ping

“…Memristive conductance switching has been observed recently in molecular junctions, offering another instance of the newly discovered electronic device, the…”
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Electronic Spectra of the Nanostar Dendrimer: Theory and Experiment by Palma, Julio L, Atas, Evrim, Hardison, Lindsay, Marder, Todd B, Collings, Jonathan C, Beeby, Andrew, Melinger, Joseph S, Krause, Jeffrey L, Kleiman, Valeria D, Roitberg, Adrian E

“…We present a sequential molecular dynamics/quantum mechanics (MD/QM) study and steady-state spectroscopy measurements of the nanostar dendrimer (a…”
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Molecular Dynamics Simulations of Au Penetration through Alkanethiol Monolayers on the Au(111) Surface by Alkis, Sabri, Cao, Chao, Cheng, Hai-Ping, Krause, Jeffrey L

“…We present results on the energetics and dynamics of Au atoms interacting with alkanethiol monolayers using molecular dynamics in conjunction with…”
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Energy Transfer in the Nanostar:  The Role of Coulombic Coupling and Dynamics by Ortiz, Wilfredo, Krueger, Brent P., Kleiman, Valeria D., Krause, Jeffrey L., Roitberg, Adrian E.

“…We present a theoretical investigation of energy transfer in the phenylene ethynelene dendrimer known as the nanostar. Data from extensive molecular dynamics…”
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Manipulating I−V Characteristics of a Molecular Switch with Chemical Modifications by Palma, Julio L, Cao, Chao, Zhang, X.-G, Krstić, Predrag S, Krause, Jeffrey L, Cheng, Hai-Ping

“…We present a study of the effects of chemical modifications on the electron transport properties of the azobenzene molecule, which has been proposed as a…”
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Molecular Dynamics Simulations of Alkanethiol Monolayers with Azobenzene Molecules on the Au(111) Surface by Alkis, Sabri, Jiang, Ping, Wang, Lin-Lin, Roitberg, Adrian E, Cheng, Hai-Ping, Krause, Jeffrey L

“…Azobenzene derivatives have potential applications as optomechanical devices and molecular switches. The fabrication of such devices requires attachment of…”
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High-order harmonic generation from atoms and ions in the high intensity regime by KRAUSE, J. L, SCHAFER, K. J, KULANDER, K. C

“…We present calculated optical harmonic spectra for atoms and ions in the high intensity regime to current short-pulse experiments. We find that ions can…”
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Theoretical study of the interaction of molecular oxygen with a reduced TiO2 surface by DE LARA-CASTELLS, M. P, KRAUSE, Jeffrey L

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Selective excitation of vibrational states by shaping of light-induced potentials by Sola, IR, Chang, BY, Santamaria, J, Malinovsky, VS, Krause, JL

“…In this Letter we describe a method for population transfer using intense, ultrafast laser pulses. The selectivity is accomplished by careful shaping of…”
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Controlling the Future of Matter by Kohler, Bern, Krause, Jeffrey L, Raksi, Ferenc, Wilson, Kent R, Yakovlev, Vladislav V, Whitnell, Robert M, Yan, YiJing

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Suppressing the Spreading of Continuum Wave Packets via Chirped Laser Pulses by Manescu, Corneliu, Krause, Jeffrey L, Møller, Klaus B, Henriksen, Niels E

“…We investigate the focusing, that is, the reversing of spreading of continuum wave packets created with chirped laser pulses in the weak-field limit. Focusing…”
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Control of THz Emission from Stark Wave Packets by Krause, Jeffrey L, Schafer, Kenneth J

“…We present calculations of the quantum control of THz emission from Stark wave packets in sodium. Our method is based on the direct integration of the…”
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Fluorescence resonance energy transfer in dye-labeled DNA by Dolghih, Elena, Roitberg, Adrian E., Krause, Jeffrey L.

“…We present the results of molecular modeling of dye-labeled, double-stranded DNA. The structural information obtained from the simulations are used as input to…”
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Calculation of photoemission from atoms subject to intense laser fields by KRAUSE, J. L, SCHAFER, K. J, KULANDER, K. C

“…We use a nonperturbative method to solve the time-dependent Schroedinger equation for an electronic state of an atom subject to a very intense ({gt}10{sup 13}…”
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Quantum Control of Molecular Dynamics: The Strong Response Regime by Krause, Jeffrey L, Messina, Michael, Wilson, Kent R, Yan, YiJing

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Detection and control of molecular quantum dynamics by Che, Jianwei, Krause, Jeffrey L, Messina, Michael, Wilson, Kent R, Yan, YiJing

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Manipulating I V Characteristics of a Molecular Switch with Chemical Modifications by Palma, Julio L., Cao, Chao, Zhang, Xiaoguang, Krstic, Predrag S, Krause, Jeffrey L., Cheng, Hai-Ping

“…We present a study of the effects of chemical modifications on the electron transport properties of the azobenzene molecule, which has been proposed as a…”
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