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Synonyme wurden verwendet für: Potenzialhyperfläche

Suche ohne Synonyme: keywords:("Potenzialhyperfläche")

Verwendete Synonyme:

  • potential energy surface
  • potentialenergieflache
  • potentialhyperflache
  • potenzialenergieflache

  1. Exploring potential energy surfaces in ground- and excited states

    Freier Zugriff
    Steinmetzer, Johannes | TIBKAT | 2021
    Schlagwörter: Potenzialhyperfläche

  2. Optimierung von Algorithmen zur Generierung vieldimensionaler Potentialflächen innerhalb der theoretischen Schwingungsspektroskopie

    Freier Zugriff
    Ziegler, Benjamin | TIBKAT | 2019
    Schlagwörter: Potenzialhyperfläche

  3. Structural and energetic exploration of a boron‐rich sulfide cluster B6S

    Tang, Xiao‐Yu / Cui, Zhong‐Hua / Shao, Chang‐Bin et al. | Wiley | 2012
    Schlagwörter: potential energy surface

  4. A theoretical survey on the structures, energetics, and isomerization pathways of the B5O radical

    Shao, Chang‐Bin / Jin, Lin / Ding, Yi‐Hong | Wiley | 2011
    Schlagwörter: potential energy surface

  5. FLAME: A library of atomistic modeling environments

    Amsler, Maximilian / Rostami, Samare / Tahmasbi, Hossein et al. | Elsevier | 2020
    Schlagwörter: Potential energy surface

  6. Water‐assisted Dimerization of Hydrogen Cyanide: A Computational Study

    Choe, Joong Chul | Wiley | 2017
    Schlagwörter: Potential Energy Surface

  7. Dimerization of HCN in Interstellar Icy Grain Mantles: A DFT Study

    Choe, Joong Chul | Wiley | 2019
    Schlagwörter: Potential energy surface

  8. LASP: Fast global potential energy surface exploration

    Huang, Si‐Da / Shang, Cheng / Kang, Pei‐Lin et al. | Wiley | 2019
    Schlagwörter: potential energy surface

  9. A global potential energy surface for H 2 S + (X 4A′′) and quasi-classical trajectory study of the S + (4S) + H 2 (X1Σ+ g) reaction

    Song, Y. Z. / Zhang, Y. / Gao, S. B. et al. | Taylor & Francis Verlag | 2018
    Schlagwörter: Potential energy surface

  10. A global potential energy surface for H3+

    Mizus, Irina I. / Polyansky, Oleg L. / McKemmish, Laura K. et al. | Taylor & Francis Verlag | 2019
    Schlagwörter: potential energy surface

  11. Towards efficient refinement of molecular potential energy surfaces: Ammonia as a case study

    Yurchenko, Sergei N. / Barber, Robert J. / Tennyson, Jonathan et al. | Elsevier | 2011
    Schlagwörter: Potential energy surface

  12. Vibrational energy levels of the S 0 and S 1 states of formaldehyde using an accurate ab initio based global diabatic potential energy matrix

    Xie, Changjian / Guan, Yafu / Yarkony, David R. et al. | Taylor & Francis Verlag | 2021
    Schlagwörter: potential energy surface

  13. Interpolation for molecular dynamics simulations: from ions in gas phase to proteins in solution

    Rhee, Young Min / Park, Jae Woo | Wiley | 2016
    Schlagwörter: potential energy surface

  14. Reaction mechanism, rate constants, and product yields for unimolecular and H-assisted decomposition of 2,4-cyclopentadienone and oxidation of cyclopentadienyl with atomic oxygen

    Ghildina, A.R. / Oleinikov, A.D. / Azyazov, V.N. et al. | Elsevier | 2017
    Schlagwörter: Potential energy surface

  15. Accurate potential energy surfaces for the excited state of CF2 molecule

    Yin, Ruilin / Gao, Nan / Zhang, Ruimeng et al. | Elsevier | 2020
    Schlagwörter: Potential energy surface

  16. A DFT‐based potential energy surface for the H   7 + cluster

    Barragán, Patricia / Prosmiti, Rita | Wiley | 2013
    Schlagwörter: potential energy surface

  17. Conical intersections in physics : an introduction to synthetic Gauge theories

    Larson, Jonas / Sjöqvist, Erik / Öhberg, Patrik | TIBKAT | 2020
    Schlagwörter: Potenzialhyperfläche

  18. Exploring the potential energy surface of retinal, a comparison of the performance of different methods

    Blomgren, Fredrik / Larsson, Sven | Wiley | 2005
    Schlagwörter: potential energy surface

  19. A full-dimensional ab initio potential energy surface and rovibrational energies of the Ar–HF complex

    Huang, Jing / Zhou, Yanzi / Xie, Daiqian | Taylor & Francis Verlag | 2018
    Schlagwörter: potential energy surface

  20. Structure-dependent photocatalytic decomposition of formic acid on the anatase TiO2(101) surface and strategies to increase its reaction rate

    Ji, Yongfei / Luo, Yi | Elsevier | 2015
    Schlagwörter: Potential energy surface

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