50 results on '"Sardar, Subhankar"'
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2. Effects of site-specific substitution to hexacene and its effect towards singlet fission
3. A beyond Born-Oppenheimer treatment of five state molecular system [formula omitted] and the photodetachment spectra of its anion
4. Monitoring of the energy levels by heteroatom substitution to hexacene and controlling over singlet fission and photo-oxidative resistance
5. A beyond Born–Oppenheimer treatment of C6H6+ radical cation for diabatic surfaces: Photoelectron spectra of its neutral analog using time-dependent discrete variable representation.
6. Construction of Beyond Born‐Oppenheimer Based Diabatic Surfaces and Generation of Photoabsorption Spectra: The Touchstone Pyrazine (C 4 N 2 H 4 )
7. Conical intersections between [formula omitted] and [formula omitted] electronic states of [formula omitted]
8. Conical intersections and nonadiabatic coupling terms in 1,3,5-C6H3F3+: A six state beyond Born-Oppenheimer treatment.
9. Beyond Born–Oppenheimer based diabatic surfaces of 1,3,5-C6H3F3+ to generate the photoelectron spectra using time-dependent discrete variable representation approach
10. Construction of Beyond Born‐Oppenheimer Based Diabatic Surfaces and Generation of Photoabsorption Spectra: The Touchstone Pyrazine (C4N2H4).
11. The multistate multimode vibronically coupled nuclear dynamics of monofluorobenzene radical cation using a parallelized TDDVR approach
12. A quantum-classical simulation of a multi-surface multi-mode nuclear dynamics on $ {\rm C_{6}H}_{6}^{+} $ incorporating degeneracy among electronic states
13. A quantum-classical simulation of the nuclear dynamics in NO2− and C6H6+ with realistic model Hamiltonian
14. A comparative multi-state multi-dimensional quantum-classical dynamics on compact polycyclic aromatic hydrocarbons (CPAHs) by parallel TDDVR method
15. ADT: A Generalized Algorithm and Program for Beyond Born–Oppenheimer Equations of “N” Dimensional Sub-Hilbert Space
16. Beyond Born–Oppenheimer based diabatic surfaces of 1,3,5-C6H3F3+ to generate the photoelectron spectra using time-dependent discrete variable representation approach.
17. Ab initio constructed diabatic surfaces of NO2 and the photodetachment spectra of its anion.
18. Extended Born-Oppenheimer equations for non-Abelian situations: A study on NO3 radical and 1,3,5-C6H3F3+ radical cation
19. A beyond Born-Oppenheimer treatment of five state molecular system NO3 and the photodetachment spectra of its anion
20. Topological Effects in Vibronically Coupled Degenerate Electronic States: A Case Study on Nitrate and Benzene Radical Cation
21. The TDDVR approach for molecular photoexcitation, molecule–surface and triatomic reactive scattering processes
22. Single surface beyond Born–Oppenheimer equation for a three-state model Hamiltonian of Na3 cluster.
23. The multistate multimode vibronic dynamics of benzene radical cation with a realistic model Hamiltonian using a parallelized algorithm of the quantumclassical approach.
24. An ab initio investigation of non-adiabatic couplings and conical intersections among the lowest five electronic states of the NO3 radical
25. Extended Born-Oppenheimer equations for non-Abelian situations: A study on NO3 radical and 1,3,5-C6H3[formula omitted] radical cation.
26. An Exhaustive Quantum-Classical Study of C6F6+Using the Newly Formulated Parallel TDDVR Method
27. Ab initio constructed diabatic surfaces of NO2 and the photodetachment spectra of its anion
28. An ab initio investigation of non-adiabatic couplings and conical intersections among the lowest five electronic states of the NO 3 radical.
29. Classical blended quantum formulation of the parallel TDDVR method to the dynamics on furan
30. Multisurface Multimode Molecular Dynamical Simulation of Naphthalene and Anthracene Radical Cations by Using Nearly Linear Scalable Time-Dependent Discrete Variable Representation Method
31. NEARLY LINEAR SCALABILITY OF TIME-DEPENDENT DISCRETE VARIABLE REPRESENTATION (TDDVR) METHOD FOR THE DYNAMICS OF MULTI-SURFACE MULTI-MODE HAMILTONIAN
32. Conical intersections between and electronic states of
33. The effect of phonon modes on the D2(v=0,j=0)–Cu(111) scattering processes
34. Effect of Surface Modes on the Six-Dimensional Molecule–Surface Scattering Dynamics of H2–Cu(100) and D2–Cu(111) Systems
35. Multi-state multi-mode nuclear dynamics on three isomers of C6H4F+2 using parallelized TDDVR approach
36. The effect of phonon modes on the H2(v, j)/D2(v, j)–Cu(1nn) scattering processes
37. A quantum-classical simulation of the nuclear dynamics in NO 2 − and C6H 6 + with realistic model Hamiltonian
38. A “classical” trajectory driven nuclear dynamics by a parallelized quantum-classical approach to a realistic model Hamiltonian of benzene radical cation
39. A parallelised quantum-classical approach to the molecular dynamics of allene radical cation
40. Single surface beyond Born–Oppenheimer equation for a three-state model Hamiltonian of Na3 cluster
41. A quantum-classical approach to the molecular dynamics of butatriene cation with a realistic model Hamiltonian
42. MultisurfaceMultimode Molecular Dynamical Simulationof Naphthalene and Anthracene Radical Cations by Using Nearly LinearScalable Time-Dependent Discrete Variable Representation Method.
43. A 'classical' trajectory driven nuclear dynamics by a parallelized quantum-classical approach to a realistic model Hamiltonian of benzene radical cation.
44. Multi-state multi-mode nuclear dynamics on three isomers of C6H4F+2using parallelized TDDVR approach.
45. A parallelised quantum-classical approach to the molecular dynamics of allene ([image omitted]) radical cation.
46. The effect of phonon modes on the D2(v=0, j=0)–Cu(111) scattering processes.
47. An Exhaustive Quantum-Classical Study of C 6 F 6 + Using the Newly Formulated Parallel TDDVR Method.
48. Beyond Born-Oppenheimer based diabatic surfaces of 1,3,5-C 6 H 3 F 3 + to generate the photoelectron spectra using time-dependent discrete variable representation approach.
49. A beyond Born-Oppenheimer treatment of C 6 H 6 + radical cation for diabatic surfaces: Photoelectron spectra of its neutral analog using time-dependent discrete variable representation.
50. Conical intersections and nonadiabatic coupling terms in 1,3,5-C 6 H 3 F 3 + : A six state beyond Born-Oppenheimer treatment.
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