Rotating full- and reduced-dimensional quantum chemical models of molecules.

Rotating full- and reduced-dimensional quantum chemical models of molecules.

Item
http://www.wikidata.org/entity/Q51600454
Interpretation of the vibrational energy level structure of the astructural molecular ion H5 (+) and all of its deuterated isotopomers.Promoting and inhibiting tunneling via nuclear motions.Modelling non-adiabatic effects in H₃⁺: solution of the rovibrational Schrödinger equation with motion-dependent masses and mass surfaces.Numerical and exact kinetic energy operator using Eckart conditions with one or several reference geometries: Application to HONO.Rovibrational transitions of the methane-water dimer from intermolecular quantum dynamical computations.Communication: General variational approach to nuclear-quadrupole coupling in rovibrational spectra of polyatomic molecules.On the use of nonrigid-molecular symmetry in nuclear motion computations employing a discrete variable representation: A case study of the bending energy levels of CH5.Rovibrational quantum dynamical computations for deuterated isotopologues of the methane-water dimer.Complex rovibrational dynamics of the Ar·NO+ complex.A general variational approach for computing rovibrational resonances of polyatomic molecules. Application to the weakly bound H2He+ and H2⋅CO systems.Constrained molecular vibration-rotation Hamiltonians: contravariant metric tensor.Using an internal coordinate Gaussian basis and a space-fixed Cartesian coordinate kinetic energy operator to compute a vibrational spectrum with rectangular collocation.Computing rovibrational levels of methane with curvilinear internal vibrational coordinates and an Eckart frame.The fourth age of quantum chemistry: molecules in motion.Selected new developments in vibrational structure theory: potential construction and vibrational wave function calculations.
P2860

Rotating full- and reduced-dimensional quantum chemical models of molecules.

Item
http://www.wikidata.org/entity/Q51600454
description
2011 nî lūn-bûn
@nan
2011年の論文
@ja
2011年学术文章
@wuu
2011年学术文章
@zh
2011年学术文章
@zh-cn
2011年学术文章
@zh-hans
2011年学术文章
@zh-my
2011年学术文章
@zh-sg
2011年學術文章
@yue
2011年學術文章
@zh-hant
name
Rotating full- and reduced-dimensional quantum chemical models of molecules.
@en
Rotating full- and reduced-dimensional quantum chemical models of molecules.
@nl
type
label
Rotating full- and reduced-dimensional quantum chemical models of molecules.
@en
Rotating full- and reduced-dimensional quantum chemical models of molecules.
@nl
prefLabel
Rotating full- and reduced-dimensional quantum chemical models of molecules.
@en
Rotating full- and reduced-dimensional quantum chemical models of molecules.
@nl
P1433
P1476
P2093
P2860
P304
P31
P356
P407
P433
P478
P50
P577
P5875
P698
P356
P1433
P1476
Rotating full- and reduced-dimensional quantum chemical models of molecules
@en
P2093
P2860
P304
P31
P356
P407
P433
P478
P50
P577
P5875
P698