109 results on '"Suleimanov, Yury V."'
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2. Assessing parameters for ring polymer molecular dynamics simulations at low temperatures: DH + H chemical reaction
3. Ring Polymer Molecular Dynamics Approach to Quantum Dissociative Chemisorption Rates.
4. Ring polymer molecular dynamics and active learning of moment tensor potential for gas-phase barrierless reactions: Application to S + H2.
5. Electronic Structure, Stability, and Electrical Mobility of Cationic Silver Oxide Atomic Clusters.
6. Experimental and theoretical studies of the gas-phase reactions of O(1D) with H2O and D2O at low temperature.
7. Isotopic separation of helium through graphyne membranes: a ring polymer molecular dynamics study.
8. Should thermostatted ring polymer molecular dynamics be used to calculate thermal reaction rates?
9. Ring-polymer molecular dynamics: Rate coefficient calculations for energetically symmetric (near thermoneutral) insertion reactions (X + H2) → HX + H(X = C(¹D), S(¹D)).
10. VTST and RPMD kinetics study of the nine-body X + C2H6 (X ≡ H, Cl, F) reactions based on analytical potential energy surfaces.
11. Dynamics of H + HeH+(v = 0, j = 0) → H2+ + He: Insight on the Possible Complex-Forming Behavior of the Reaction.
12. Bimolecular reaction rates from ring polymer molecular dynamics: Application to H + CH4→ H2 + CH3.
13. Efficient numerical method for locating Feshbach resonances of ultracold molecules in external fields.
14. Bimolecular reaction rates from ring polymer molecular dynamics.
15. 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.
16. 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.
17. Electronic to vibrational energy transfer assisted by interacting transition dipole moments: a quantum model for the nonadiabatic [I.sub.2](E) + C[F.sub.4] collisions
18. Experimental and Theoretical Study of the O(1D) + HD Reaction.
19. Zero- and High-Pressure Mechanisms in the Complex Forming Reactions of OH with Methanol and Formaldehyde at Low Temperatures.
20. Quantum Roaming in the Complex-Forming Mechanism of the Reactions of OH with Formaldehyde and Methanol at Low Temperature and Zero Pressure: A Ring Polymer Molecular Dynamics Approach.
21. The low temperature D+ + H2 → HD + H+ reaction rate coefficient: a ring polymer molecular dynamics and quasi-classical trajectory study.
22. A combined theoretical and experimental investigation of the kinetics and dynamics of the O(1D) + D2 reaction at low temperature.
23. Unimolecular Reaction Pathways of a γ‑Ketohydroperoxide from Combined Application of Automated Reaction Discovery Methods.
24. Kinetics study of the CN + CH4 hydrogen abstraction reaction based on a new ab initio analytical full-dimensional potential energy surface.
25. Low-Temperature Experimental and Theoretical Rate Constants for the O(1D) + H2 Reaction.
26. SCOPA and META-SCOPA: software for the analysis and aggregation of genome-wide association studies of multiple correlated phenotypes.
27. Thermal Rate Coefficients for the Astrochemical Process C + CH+ → C2+ + H by Ring Polymer Molecular Dynamics.
28. Chemical Reaction Rate Coefficients from Ring Polymer Molecular Dynamics: Theory and Practical Applications.
29. Recrossing and Tunneling in the Kinetics Study of the OH + CH4 → H2O + CH3 Reaction.
30. Rate Coefficient for the 4Heμ + CH4 Reaction at 500 K: Comparison between Theory and Experiment.
31. Cross-Aldol Reaction of Isatin with Acetone Catalyzed by Leucinol: A Mechanistic Investigation.
32. QuantumRate Coefficients and Kinetic Isotope Effectfor the Reaction Cl + CH4→ HCl + CH3from Ring Polymer Molecular Dynamics.
33. Erratum: “Bimolecular reaction rates from ring polymer molecular dynamics” [J. Chem. Phys. 130, 174713 (2009)].
34. Communication: Full dimensional quantum rate coefficients and kinetic isotope effects from ring polymer molecular dynamics for a seven-atom reaction OH + CH4 → CH3 + H2O.
35. Rate coefficients and kinetic isotope effects of the X + CH4 → CH3 + HX (X = H, D, Mu) reactions from ring polymer molecular dynamics.
36. Publisher’s Note: “Bimolecular reaction rates from ring polymer molecular dynamics” [J. Chem. Phys. 130, 174713 (2009)].
37. ChemInform Abstract: Chemical Reaction Rate Coefficients from Ring Polymer Molecular Dynamics: Theory and Practical Applications.
38. Inside Back Cover: Cross-Aldol Reaction of Isatin with Acetone Catalyzed by Leucinol: A Mechanistic Investigation (Chem. Eur. J. 34/2015).
39. Low temperature rates for key steps of interstellar gas-phase water formation.
40. Experimental and theoretical studies of the gas-phase reactions of O( 1 D) with H 2 O and D 2 O at low temperature.
41. VTST and RPMD kinetics study of the nine-body X + C 2 H 6 (X ≡ H, Cl, F) reactions based on analytical potential energy surfaces.
42. Dynamics of H + HeH + ( v = 0, j = 0) → H 2 + + He: Insight on the Possible Complex-Forming Behavior of the Reaction.
43. Experimental and Theoretical Study of the O( 1 D) + HD Reaction.
44. The low temperature D + + H 2 → HD + H + reaction rate coefficient: a ring polymer molecular dynamics and quasi-classical trajectory study.
45. A Ring Polymer Molecular Dynamics Approach to Study the Transition between Statistical and Direct Mechanisms in the H 2 + H 3 + → H 3 + + H 2 Reaction.
46. A combined theoretical and experimental investigation of the kinetics and dynamics of the O( 1 D) + D 2 reaction at low temperature.
47. Kinetics study of the CN + CH 4 hydrogen abstraction reaction based on a new ab initio analytical full-dimensional potential energy surface.
48. Low-Temperature Experimental and Theoretical Rate Constants for the O( 1 D) + H 2 Reaction.
49. Thermal Rate Coefficients for the Astrochemical Process C + CH + → C 2 + + H by Ring Polymer Molecular Dynamics.
50. An experimental and theoretical investigation of the C( 1 D) + D 2 reaction.
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