Results 31 to 40 of about 650,234 (81)

On the Influence of Uncertainties in Chemical Reaction Rates on Results of the Astrochemical Modelling

, 2003
With the chemical reaction rate database UMIST95 (Millar et al. 1997) we analyze how uncertainties in rate constants of gas-phase chemical reactions influence the modelling of molecular abundances in the interstellar medium.
A. I. Vasyunin, A. M. Sobolev, B. E. Turner, D. A. Semenov, D. P. Ruffle, D. S. Wiebe, E. Dishoeck van, G. Pineau Forêts des, H.-H. Lee, M. Matsumoto, R. Terzieva, S. W. Stahler, T. J. Millar, Y. H. Teuff Le, Y. Hirahara, Yu. Aikawa, Z.-Y. Li   +16 more
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Quantum State and Process Tomography of Energy Transfer Systems via Ultrafast Spectroscopy

, 2011
The description of excited state dynamics in multichromophoric systems constitutes both a theoretical and experimental challenge in modern physical chemistry.
Aspuru-Guzik, Alán, Krich, Jacob J., Mohseni, Masoud, Yuen-Zhou, Joel   +3 more
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The education of Walter Kohn and the creation of density functional theory [PDF]

, 2014
The theoretical solid-state physicist Walter Kohn was awarded one-half of the 1998 Nobel Prize in Chemistry for his mid-1960's creation of an approach to the many-particle problem in quantum mechanics called density functional theory (DFT).
Zangwill, Andrew
core  

WavePacket: A Matlab package for numerical quantum dynamics. II: Open quantum systems, optimal control, and model reduction

, 2018
WavePacket is an open-source program package for numeric simulations in quantum dynamics. It can solve time-independent or time-dependent linear Schr\"odinger and Liouville-von Neumann-equations in one or more dimensions.
Hartmann, Carsten, Schmidt, Burkhard
core   +1 more source

Circumstellar chemistry [PDF]

The study of the outer envelopes of cool evolved stars has become an active area of research. The physical properties of CS envelopes are presented. Observations of many wavelengths bands are relevant.
Glassgold, Alfred E., Huggins, Patrick J.   +1 more
core   +1 more source

Physics of Transport and Traffic Phenomena in Biology: from molecular motors and cells to organisms

, 2005
Traffic-like collective movements are observed at almost all levels of biological systems. Molecular motor proteins like, for example, kinesin and dynein, which are the vehicles of almost all intra-cellular transport in eukayotic cells, sometimes ...
Aghababaie, Anderson, Anderson, Anderson, Anderson, Anderson, Andreas Schadschneider, Antal, Aridor, Aridor, Arndt, Arndt, Astumian, Bonabeau, Bonabeau, Bonabeau, Bonabeau, Bonabeau, Burd, Burd, Burstedde, Camazine, Chopard, Chopard, Chou, Chowdhury, Chowdhury, Chowdhury, Coffey, Couzin, de Gier, Debashish Chowdhury, Derenyi, Derenyi, Derrida, Derrida, Derrida, Dorigo, Ebneth, Edelstein-Keshet, Evans, Evans, Evans, Evans, Evans, Feynman, Fisher, Frey, Fukui, Gautrais, Gipps, Goldstein, Goldstein, Goldstein, Goldstein, Goldstein, Grimm, Gross, Gueron, Hackney, Harms, Helbing, Helbing, Helbing, Helbing, Helbing, Helbing, Henderson, Hiratsuka, Hirokawa, Howard, Huang, Hughes, Hughes, Hölldobler, Jackson, Janowsky, John, Juhasz, Juhasz, Jülicher, Kafri, Katsuhiro Nishinari, Kirchner, Kirchner, Kirchner, Klein, Klumpp, Klumpp, Klumpp, Klumpp, Klüpfel, Kolomeisky, Krieger, Krug, Krug, Kruse, Ktitarev, Lakatos, Leduc, Lee, Lipowsky, Lipowsky, MacDonald, MacDonald, Mahnke, Mai, Mandelkow, Marchesoni, Marconi, Marro, Mikhailov, Mogilner, Mukherji, Muramatsu, Nagase, Nakayama, Nedlec, Nedlec, Nieuwenhuizen, Nieuwenhuizen, Nishinari, Nishinari, Nitta, O'Loan, O'Loan, Odell, Okada, Okada, Okada, Parmeggiani, Parmeggiani, Popescu, Popkov, Popkov, Popkov, Railsback, Rajewsky, Rajewsky, Ratnieks, Ratnieks, Rauch, Reimann, Risken, Saffarian, Sankararaman, Schadschneider, Schmittmann, Schweitzer, Schütz, Schütz, Shaw, Shaw, Shaw, Smoluchowski, Stamer, Surrey, Theraulaz, Theraulaz, Thompson, Tripathi, Watmough, Weibel, Welte, Whittaker, Wilson, Wolfram, Wolfram, Ziebert   +168 more
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Multidisciplinary research in space sciences and engineering with emphasis on theoretical chemistry [PDF]

A broad program is reported of research in theoretical chemistry, particularly in molecular quantum and statistical mechanics, directed toward determination of the physical and chemical properties of materials, relation of these macroscopic properties to
Curtiss, C. F., Hirschfelder, J. O.
core   +1 more source

Deuterated species in extragalactic star-forming regions

, 2010
We present a theoretical study of the deuterated species detectability in various types of extragalactic star-forming regions based on our predictions of chemical abundances. This work is motivated by the past and current attempts at observing deuterated
Aladro, Bacmann, Bayet, Bayet, Bayet, Carilli, Cazaux, Ceccarelli, E. Bayet, Gerin, Jacq, Jacq, Jiang, Knauth, Leroy, Madden, Martín, Mauersberger, Mauersberger, Meijerink, Meyer, Millar, Oliveira, Parra, Rawlings, Riechers, Roberts, Roberts, Roberts, Roueff, S. Viti, Schilke, Seymour, Snow, Sofia, Stark, Tielens, Vastel, Walmsley, Watson, Z. Awad   +40 more
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ECUT: Energy Conversion and Utilization Technologies program. Heterogeneous catalysis modeling program concept [PDF]

Insufficient theoretical definition of heterogeneous catalysts is the major difficulty confronting industrial suppliers who seek catalyst systems which are more active, selective, and stable than those currently available.
Voecks, G. E.
core   +1 more source

Non-equilibrium chemistry in the solar nebula and early solar system: Implications for the chemistry of comets [PDF]

Theoretical models of solar nebula and early solar system chemistry which take into account the interplay between chemical, physical, and dynamical processes have great utility for deciphering the origin and evolution of the abundant chemically reactive ...
Fegley, Bruce, Jr.
core   +1 more source