51 results on '"Suleimanov, Yury V."'
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2. Electronic Structure, Stability, and Electrical Mobility of Cationic Silver Oxide Atomic Clusters
3. Assessing parameters for ring polymer molecular dynamics simulations at low temperatures: DH + H chemical reaction
4. Isotopic separation of helium through graphyne membranes: a ring polymer molecular dynamics study
5. Experimental and Theoretical Studies of the Gas-Phase Reactions of O(1D) with H2O and D2O at Low Temperature
6. VTST and RPMD kinetics study of the nine-body X + C2H6 (X ≡ H, Cl, F) reactions based on analytical potential energy surfaces
7. Ring polymer molecular dynamics and active learning of moment tensor potential for gas-phase barrierless reactions: Application to S + H2
8. Dynamics of H + HeH+(v = 0, j = 0) → H2+ + He: Insight on the Possible Complex-Forming Behavior of the Reaction
9. Experimental and Theoretical Study of the O(1D) + HD Reaction
10. Zero- and High-Pressure Mechanisms in the Complex Forming Reactions of OH with Methanol and Formaldehyde at Low Temperatures
11. 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
12. Low temperature rates for key steps of interstellar gas-phase water formation
13. A Ring Polymer Molecular Dynamics Approach to Study the Transition between Statistical and Direct Mechanisms in the H2 + H3+ → H3+ + H2 Reaction
14. Unimolecular Reaction Pathways of a γ-Ketohydroperoxide from Combined Application of Automated Reaction Discovery Methods
15. A combined theoretical and experimental investigation of the kinetics and dynamics of the O(1D) + D2 reaction at low temperature
16. The low temperature D+ + H2 → HD + H+ reaction rate coefficient: a ring polymer molecular dynamics and quasi-classical trajectory study
17. Low-Temperature Experimental and Theoretical Rate Constants for the O(1D) + H2 Reaction
18. SCOPA and META-SCOPA: software for the analysis and aggregation of genome-wide association studies of multiple correlated phenotypes
19. Kinetics study of the CN + CH4 hydrogen abstraction reaction based on a new ab initio analytical full-dimensional potential energy surface
20. An experimental and theoretical investigation of the C(1D) + D2 reaction
21. Thermal Rate Coefficients for the Astrochemical Process C + CH+ → C2+ + H by Ring Polymer Molecular Dynamics
22. ChemInform Abstract: Chemical Reaction Rate Coefficients from Ring Polymer Molecular Dynamics: Theory and Practical Applications
23. Chemical Reaction Rate Coefficients from Ring Polymer Molecular Dynamics: Theory and Practical Applications
24. Rate Coefficient for the 4Heμ + CH4 Reaction at 500 K: Comparison between Theory and Experiment
25. Ring-Polymer Molecular Dynamics for the Prediction of Low-Temperature Rates: An Investigation of the C(1D) + H2 Reaction
26. Should thermostatted ring polymer molecular dynamics be used to calculate thermal reaction rates?
27. Inside Back Cover: Cross-Aldol Reaction of Isatin with Acetone Catalyzed by Leucinol: A Mechanistic Investigation (Chem. Eur. J. 34/2015)
28. Automated Discovery of Elementary Chemical Reaction Steps Using Freezing String and Berny Optimization Methods
29. Cross‐Aldol Reaction of Isatin with Acetone Catalyzed by Leucinol: A Mechanistic Investigation
30. Recrossing and Tunneling in the Kinetics Study of the OH + CH4 → H2O + CH3 Reaction
31. Ring-polymer molecular dynamics: Rate coefficient calculations for energetically symmetric (near thermoneutral) insertion reactions (X + H2) → HX + H(X = C(1D), S(1D))
32. Stress Test for Quantum Dynamics Approximations: Deep Tunneling in the Muonium Exchange Reaction D + HMu → DMu + H
33. A Signature of Roaming Dynamics in the Thermal Decomposition of Ethyl Nitrite: Chirped-Pulse Rotational Spectroscopy and Kinetic Modeling
34. Theoretical Kinetics Study of the O(3P) + CH4/CD4 Hydrogen Abstraction Reaction: The Role of Anharmonicity, Recrossing Effects, and Quantum Mechanical Tunneling
35. Quantum Rate Coefficients and Kinetic Isotope Effect for the Reaction Cl + CH4 → HCl + CH3 from Ring Polymer Molecular Dynamics
36. Ring-Polymer Molecular Dynamics Rate Coefficient Calculations for Insertion Reactions: X + H2 → HX + H (X = N, O)
37. Communication: Full dimensional quantum rate coefficients and kinetic isotope effects from ring polymer molecular dynamics for a seven-atom reaction OH + CH4 → CH3 + H2O
38. Rate coefficients and kinetic isotope effects of the X + CH4 → CH3 + HX (X = H, D, Mu) reactions from ring polymer molecular dynamics
39. A ring polymer molecular dynamics study of the isotopologues of the H + H2 reaction
40. Ring Polymer Molecular Dynamics Calculations of Thermal Rate Constants for the O(3P) + CH4 → OH + CH3 Reaction: Contributions of Quantum Effects
41. Surface Diffusion of Hydrogen on Ni(100) from Ring Polymer Molecular Dynamics
42. Chemical Reaction Rates from Ring Polymer Molecular Dynamics: Zero Point Energy Conservation in Mu + H2 → MuH + H
43. Bimolecular reaction rates from ring polymer molecular dynamics: Application to H + CH4→ H2 + CH3
44. Efficient numerical method for locating Feshbach resonances of ultracold molecules in external fields
45. Erratum: “Bimolecular reaction rates from ring polymer molecular dynamics” [J. Chem. Phys. 130, 174713 (2009)]
46. Zeeman relaxation of magnetically trapped Eu atoms
47. Publisher’s Note: “Bimolecular reaction rates from ring polymer molecular dynamics” [J. Chem. Phys. 130, 174713 (2009)]
48. Bimolecular reaction rates from ring polymer molecular dynamics
49. 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
50. Theoretical and experimental studies of collision-induced electronic energy transfer from v=–3 of the E(g+) ion-pair state of Br2: Collisions with He and Ar
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