Astronomical CH3+ rovibrational assignments-A combined theoretical and experimental study validating observational findings in the d203-506 UV-irradiated …
Context. The methyl cation (CH 3+) has recently been discovered in the interstellar medium
through the detection of 7 μm (1400 cm− 1) features toward the d203-506 protoplanetary …
through the detection of 7 μm (1400 cm− 1) features toward the d203-506 protoplanetary …
Vibrational analysis of methyl cation—Rare gas atom complexes: CH3+—Rg (Rg= He, Ne, Ar, Kr)
The vibrational spectra of simple CH 3+—Rg (Rg= He, Ne, Ar, Kr) complexes have been
studied by vibrational configuration interaction theory relying on multidimensional potential …
studied by vibrational configuration interaction theory relying on multidimensional potential …
The tunneling splittings of the ground state and some excited vibrational states for the inversion motion in H3C− anion and H3Si radical
Splitting of the ground state and some excited symmetric bending vibrational states due to
inversion tunneling in the H 3 C− anion and H 3 Si radical dot radical is analyzed by …
inversion tunneling in the H 3 C− anion and H 3 Si radical dot radical is analyzed by …
Astronomical CH
Context. The methyl cation (CH+ 3) has recently been discovered in the interstellar medium
through the detection of 7 μm (1400 cm− 1) features toward the d203-506 protoplanetary …
through the detection of 7 μm (1400 cm− 1) features toward the d203-506 protoplanetary …
A remarkable case of basis set dependence: the false convergence patterns of the methyl anion
MC Bowman, B Zhang, W James Morgan… - Molecular …, 2019 - Taylor & Francis
The gas phase methyl anion, CH 3−, has been difficult to study experimentally, and the
extreme basis set dependence of its molecular properties has presented a comparable …
extreme basis set dependence of its molecular properties has presented a comparable …
New Approach to Calculate Adiabatic Curves of Bound States and Reactive Scattering in Quantum Chemistry Problems
FCB de Santana, AA Duarte, M Ragni… - … Science and Its …, 2016 - Springer
This paper presents a new approach to calculate adiabatic curves in quantum chemistry
problem. Based on the Shifted Inverse, the proposed approach differs from the others …
problem. Based on the Shifted Inverse, the proposed approach differs from the others …