Showing 1 - 8 results of 8 for search 'Suleimanov, Yury V.', query time: 0.03s Refine Results
  1. 1
    Ring-polymer molecular dynamics: Rate coefficient calculations for energetically symmetric (near thermoneutral) insertion reactions (X + H[subscript 2]) → HX + H(X = C([superscript 1]D), S([superscript 1]D))

    Ring-polymer molecular dynamics: Rate coefficient calculations for energetically symmetric (near thermoneutral) insertion reactions (X + H[subscript 2]) → HX + H(X = C([superscript... by Suleimanov, Yury V., Kong, Wendi J., Guo, Hua, Green, William H.

    Published 2015
    Get full text
    Get full text
    Article
  2. 2
    Ring Polymer Molecular Dynamics Calculations of Thermal Rate Constants for the O([superscript 3]P) + CH[subscript 4] → OH + CH[subscript 3] Reaction: Contributions of Quantum Effects

    Ring Polymer Molecular Dynamics Calculations of Thermal Rate Constants for the O([superscript 3]P) + CH[subscript 4] → OH + CH[subscript 3] Reaction: Contributions of Quantum Effec... by Li, Yongle, Suleimanov, Yury V., Yang, Minghui, Green, William H., Guo, Hua

    Published 2014
    Get full text
    Get full text
    Article
  3. 3
    Rate coefficients and kinetic isotope effects of the X + CH[subscript 4] → CH[subscript 3] + HX (X = H, D, Mu) reactions from ring polymer molecular dynamics

    Rate coefficients and kinetic isotope effects of the X + CH[subscript 4] → CH[subscript 3] + HX (X = H, D, Mu) reactions from ring polymer molecular dynamics by Li, Yongle, Suleimanov, Yury V., Li, Jun, Green, William H., Guo, Hua

    Published 2014
    Get full text
    Get full text
    Article
  4. 4
    Full dimensional quantum rate coefficients and kinetic isotope effects from ring polymer molecular dynamics for a seven-atom reaction OH + CH[subscript 4] → CH[subscript 3] + H[subscript 2]O

    Full dimensional quantum rate coefficients and kinetic isotope effects from ring polymer molecular dynamics for a seven-atom reaction OH + CH[subscript 4] → CH[subscript 3] + H[sub... by Allen, Joshua W., Green, William H., Li, Yongle, Guo, Hua, Suleimanov, Yury V.

    Published 2014
    Get full text
    Get full text
    Article
  5. 5
    Theoretical Kinetics Study of the O([superscript 3]P) + CH[subscript 4]/CD[subscript 4] Hydrogen Abstraction Reaction: The Role of Anharmonicity, Recrossing Effects, and Quantum Mechanical Tunneling

    Theoretical Kinetics Study of the O([superscript 3]P) + CH[subscript 4]/CD[subscript 4] Hydrogen Abstraction Reaction: The Role of Anharmonicity, Recrossing Effects, and Quantum Me... by Gonzalez-Lavado, Eloisa, Corchado, Jose C., Suleimanov, Yury V., Green, William H., Espinosa-Garcia, Joaquin

    Published 2014
    Get full text
    Get full text
    Article
  6. 6
    Unimolecular Reaction Pathways of a γ-Ketohydroperoxide from Combined Application of Automated Reaction Discovery Methods

    Unimolecular Reaction Pathways of a γ-Ketohydroperoxide from Combined Application of Automated Reaction Discovery Methods by Zádor, Judit, Suleimanov, Yury V., Grambow, Colin A., Jamal, Adeel, Li, Yi-Pei, Green Jr, William H

    Published 2018
    Get full text
    Get full text
    Get full text
    Article
  7. 7
    A Signature of Roaming Dynamics in the Thermal Decomposition of Ethyl Nitrite: Chirped-Pulse Rotational Spectroscopy and Kinetic Modeling

    A Signature of Roaming Dynamics in the Thermal Decomposition of Ethyl Nitrite: Chirped-Pulse Rotational Spectroscopy and Kinetic Modeling by Prozument, Kirill, Suleimanov, Yury V., Buesser, Beat, Oldham, James M., Green, William H., Suits, Arthur G., Field, Robert W.

    Published 2015
    Get full text
    Get full text
    Get full text
    Article
  8. 8
    Stress Test for Quantum Dynamics Approximations: Deep Tunneling in the Muonium Exchange Reaction D + HMu → DMu + H

    Stress Test for Quantum Dynamics Approximations: Deep Tunneling in the Muonium Exchange Reaction D + HMu → DMu + H by Suleimanov, Yury V., Richardson, Jeremy O., Green, William H., Aoiz, F. J., Perez de Tudela, Ricardo, Saez Rabanos, Vicente

    Published 2015
    Get full text
    Get full text
    Article

Search Tools: