Computational studies of the mechanisms and dynamics of chemical reactions
Yadav, Komal
Computational studies of the mechanisms and dynamics of chemical reactions - Bhubaneswar: NISER, 2022. - xix,125p. pbk.
RICE RAMSPERGER - KASSEL - MARCUS THEOERY
STEREOMUTATION
PLANAR TETRACOORDINATED CARBON (ptC)
POTENTIAL ENERGY PROFILE
ISOMERIZATION DYNAMICS
TETRACOORDINATED SYSTEMS
ACTIVE ORBITALS
DISTRIBUTION OF RELATIVE TRANSLATIONAL ENERGY
HARTREE - FOCK (HF) APPROXIMATION
HAMILTONIAN OPERATOR
544.12 / YAD-C
Computational studies of the mechanisms and dynamics of chemical reactions - Bhubaneswar: NISER, 2022. - xix,125p. pbk.
RICE RAMSPERGER - KASSEL - MARCUS THEOERY
STEREOMUTATION
PLANAR TETRACOORDINATED CARBON (ptC)
POTENTIAL ENERGY PROFILE
ISOMERIZATION DYNAMICS
TETRACOORDINATED SYSTEMS
ACTIVE ORBITALS
DISTRIBUTION OF RELATIVE TRANSLATIONAL ENERGY
HARTREE - FOCK (HF) APPROXIMATION
HAMILTONIAN OPERATOR
544.12 / YAD-C