يعرض 1 - 10 نتائج من 6,966 نتيجة بحث عن '"rydberg states"', وقت الاستعلام: 0.93s تنقيح النتائج
  1. 1
    دورية أكاديمية
    Non-adiabatic dynamics of photoexcited cyclobutanone: Predicting structural measurements from trajectory surface hopping with XMS-CASPT2 simulations.

    المؤلفون: Vindel-Zandbergen, Patricia, González-Vázquez, Jesús

    المصدر: Journal of Chemical Physics; 7/14/2024, Vol. 161 Issue 2, p1-11, 11p

    مصطلحات موضوعية: SPIN-orbit interactions, TRAJECTORY measurements, RYDBERG states, SCISSION (Chemistry), ELECTRON diffraction

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  2. 2
    دورية أكاديمية
    Prediction of photodynamics of 200 nm excited cyclobutanone with linear response electronic structure and ab initio multiple spawning.

    المؤلفون: Hait, Diptarka, Lahana, Dean, Fajen, O. Jonathan, Paz, Amiel S. P., Unzueta, Pablo A., Rana, Bhaskar, Lu, Lixin, Wang, Yuanheng, Kjønstad, Eirik F., Koch, Henrik, Martínez, Todd J.

    المصدر: Journal of Chemical Physics; 6/28/2024, Vol. 160 Issue 24, p1-14, 14p

    مصطلحات موضوعية: PHYSICAL & theoretical chemistry, SPAWNING, RYDBERG states, DENSITY functional theory, SCIENTIFIC community, STRUCTURAL analysis (Engineering)

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  3. 3
    دورية أكاديمية
    Using a multistate mapping approach to surface hopping to predict the ultrafast electron diffraction signal of gas-phase cyclobutanone.

    المؤلفون: Hutton, Lewis, Moreno Carrascosa, Andrés, Prentice, Andrew W., Simmermacher, Mats, Runeson, Johan E., Paterson, Martin J., Kirrander, Adam

    المصدر: Journal of Chemical Physics; 5/28/2024, Vol. 160 Issue 20, p1-13, 13p

    مصطلحات موضوعية: ELECTRON diffraction, RYDBERG states, ELECTRONIC structure, FORECASTING

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  4. 4
    دورية أكاديمية
    Sensitive detection and imaging of H2O density through Rydberg resonant femtosecond laser induced photofragmentation fluorescence.

    المؤلفون: Livingston Large, Timothy A., Kliewer, Christopher J.

    المصدر: Journal of Chemical Physics; 5/28/2024, Vol. 160 Issue 20, p1-7, 7p

    مصطلحات موضوعية: FEMTOSECOND lasers, LASER-induced fluorescence, RYDBERG states, HYDROXYL group, WATER vapor, DENSITY

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  5. 5
    دورية أكاديمية
    Ultrafast photochemistry and electron-diffraction spectra in n → (3s) Rydberg excited cyclobutanone resolved at the multireference perturbative level.

    المؤلفون: Jaiswal, V. K., Montorsi, F., Aleotti, F., Segatta, F., Keefer, Daniel, Mukamel, Shaul, Nenov, A., Conti, I., Garavelli, M.

    المصدر: Journal of Chemical Physics; 4/28/2024, Vol. 160 Issue 16, p1-9, 9p

    مصطلحات موضوعية: RYDBERG states, EXCITED states, PHOTOCHEMISTRY, STATE formation, ELECTRON diffraction

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  6. 6
    دورية أكاديمية
    Prediction Challenge: Simulating Rydberg photoexcited cyclobutanone with surface hopping dynamics based on different electronic structure methods.

    المؤلفون: Mukherjee, Saikat, Mattos, Rafael S., Toldo, Josene M., Lischka, Hans, Barbatti, Mario

    المصدر: Journal of Chemical Physics; 4/21/2024, Vol. 160 Issue 15, p1-15, 15p

    مصطلحات موضوعية: ELECTRONIC structure, SURFACE dynamics, TIME-dependent density functional theory, RYDBERG states, COMPUTATIONAL chemistry

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  7. 7
    دورية أكاديمية
    Prediction challenge: First principles simulation of the ultrafast electron diffraction spectrum of cyclobutanone.

    المؤلفون: Suchan, Jiří, Liang, Fangchun, Durden, Andrew S., Levine, Benjamin G.

    المصدر: Journal of Chemical Physics; 4/7/2024, Vol. 160 Issue 13, p1-10, 10p

    مصطلحات موضوعية: RYDBERG states, LINEAR accelerators, FORECASTING, COMPUTER simulation, CYCLOPROPANE, ELECTRON diffraction

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  8. 8
    دورية أكاديمية
    A CASSCF/MRCI trajectory surface hopping simulation of the photochemical dynamics and the gas phase ultrafast electron diffraction patterns of cyclobutanone.

    المؤلفون: Miao, Xincheng, Diemer, Kira, Mitrić, Roland

    المصدر: Journal of Chemical Physics; 3/28/2024, Vol. 160 Issue 12, p1-11, 11p

    مصطلحات موضوعية: DIFFRACTION patterns, GAS dynamics, ELECTRON diffraction, SELF-consistent field theory, RYDBERG states, MULTIDIMENSIONAL scaling, STRUCTURAL dynamics

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  9. 9
    دورية أكاديمية
    Revisiting the benzene excimer using [2,2] paracyclophane model system: Experiment and theory.

    المؤلفون: Haggag, Omer, Baer, Roi, Ruhman, Sanford, Krylov, Anna I.

    المصدر: Journal of Chemical Physics; 3/28/2024, Vol. 160 Issue 12, p1-13, 13p

    مصطلحات موضوعية: MOLECULAR vibration, SYSTEMS theory, BENZENE, RYDBERG states, EXCIMERS, DEGREES of freedom

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  10. 10
    دورية أكاديمية
    Two determinant distinguishable cluster.

    المؤلفون: Schraivogel, Thomas, Kats, Daniel

    المصدر: Journal of Chemical Physics; 3/28/2024, Vol. 160 Issue 12, p1-8, 8p

    مصطلحات موضوعية: RYDBERG states, BIRADICALS, CLUSTER algebras, DETERMINANTS (Mathematics)

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