Accurate ab initio double many-body expansion potential energy surface for ground-state H2S by extrapolation to the complete basis set limit
about
A new potential energy surface for the H2S system and dynamics study on the S((1)D) + H2(X(1)Σg(+)) reaction.Globally accurate potential energy surface for the ground-state HCS(X2A') and its use in reaction dynamics.Anatomy of the S(1D) + H2 reaction: the dynamics on two new potential energy surfaces from quantum dynamics calculations.Accurate double many-body expansion potential energy surface by extrapolation to the complete basis set limit and dynamics calculations for ground state of NH2.Quasiclassical dynamics for the H + HS abstraction and exchange reactions on the 3A" and the 3A' states.Accurate ab initio-based double many-body expansion adiabatic potential energy surface for the 22 A′ state of NH2 by extrapolation to the complete basis set limitOn the role of dynamical barriers in barrierless reactions at low energies: S(1D) + H2
P2860
Q35798747-477CBD8C-AD46-4353-907A-9267FD085109Q37450653-08D5F07F-9898-4864-AB54-E7EB2C083472Q43460977-E388A929-D703-4F2F-BE4F-052579A25AF3Q44080002-9D01F23D-0A0A-4B04-B911-A1669BDF921FQ46026742-8F6C8925-A636-4875-AC76-1C4BDCB28669Q57966363-BE68FE50-93E4-4D55-82AF-898B6E4CC7F0Q57966376-D65096ED-8BB9-45A2-B269-D563DB951D21
P2860
Accurate ab initio double many-body expansion potential energy surface for ground-state H2S by extrapolation to the complete basis set limit
description
im April 2009 veröffentlichter wissenschaftlicher Artikel
@de
scientific article published on 01 April 2009
@en
wetenschappelijk artikel
@nl
наукова стаття, опублікована у квітні 2009
@uk
name
Accurate ab initio double many ...... o the complete basis set limit
@en
Accurate ab initio double many ...... o the complete basis set limit
@nl
type
label
Accurate ab initio double many ...... o the complete basis set limit
@en
Accurate ab initio double many ...... o the complete basis set limit
@nl
prefLabel
Accurate ab initio double many ...... o the complete basis set limit
@en
Accurate ab initio double many ...... o the complete basis set limit
@nl
P2860
P356
P1476
Accurate ab initio double many ...... o the complete basis set limit
@en
P2093
A. J. C. Varandas
Y. Z. Song
P2860
P304
P356
10.1063/1.3103268
P407
P577
2009-04-01T00:00:00Z