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Your search keyword '"Suleimanov, Yury V."' showing total 26 results

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26 results on '"Suleimanov, Yury V."'

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1. Should thermostatted ring polymer molecular dynamics be used to calculate thermal reaction rates?

2. Ring-polymer molecular dynamics: Rate coefficient calculations for energetically symmetric (near thermoneutral) insertion reactions (X + H2) → HX + H(X = C(¹D), S(¹D)).

3. Bimolecular reaction rates from ring polymer molecular dynamics: Application to H + CH4→ H2 + CH3.

4. Efficient numerical method for locating Feshbach resonances of ultracold molecules in external fields.

5. Bimolecular reaction rates from ring polymer molecular dynamics.

6. Low-Temperature Experimental and Theoretical Rate Constants for the O(1D) + H2 Reaction.

7. SCOPA and META-SCOPA: software for the analysis and aggregation of genome-wide association studies of multiple correlated phenotypes.

8. Thermal Rate Coefficients for the Astrochemical Process C + CH+ → C2+ + H by Ring Polymer Molecular Dynamics.

9. Chemical Reaction Rate Coefficients from Ring Polymer Molecular Dynamics: Theory and Practical Applications.

10. Recrossing and Tunneling in the Kinetics Study of the OH + CH4 → H2O + CH3 Reaction.

11. Ring polymer molecular dynamics and active learning of moment tensor potential for gas-phase barrierless reactions: Application to S + H2.

12. QuantumRate Coefficients and Kinetic Isotope Effectfor the Reaction Cl + CH4→ HCl + CH3from Ring Polymer Molecular Dynamics.

14. Assessing parameters for ring polymer molecular dynamics simulations at low temperatures: DH + H chemical reaction.

15. Towards reliable calculations of thermal rate constants: Ring polymer molecular dynamics for the OH + HBr [formula omitted] Br + H[formula omitted]O reaction.

16. Rate coefficients and kinetic isotope effects of the X + CH4 → CH3 + HX (X = H, D, Mu) reactions from ring polymer molecular dynamics.

19. Low temperature rates for key steps of interstellar gas-phase water formation.

20. Dynamics and mechanism of the E→D, D′, β, γ, and δ nonadiabatic transitions induced in molecular iodine by collisions with CF4 and SF6 molecules.

21. Theoretical and experimental studies of collision-induced electronic energy transfer from v=0–3 of the E(0g+) ion-pair state of Br2: Collisions with He and Ar.

22. Unimolecular Reaction Pathways of a γ‑Ketohydroperoxide from Combined Application of Automated Reaction Discovery Methods.

23. Rate Coefficient for the 4Heμ + CH4 Reaction at 500 K: Comparison between Theory and Experiment.

24. Cross-Aldol Reaction of Isatin with Acetone Catalyzed by Leucinol: A Mechanistic Investigation.

25. Communication: Full dimensional quantum rate coefficients and kinetic isotope effects from ring polymer molecular dynamics for a seven-atom reaction OH + CH4 → CH3 + H2O.

26. Inside Back Cover: Cross-Aldol Reaction of Isatin with Acetone Catalyzed by Leucinol: A Mechanistic Investigation (Chem. Eur. J. 34/2015).

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