Optimized Structure and Vibrational Properties by Error Affected Potential Energy Surfaces
about
Quantum Monte Carlo Treatment of the Charge Transfer and Diradical Electronic Character in a Retinal Chromophore Minimal Model.Reaction pathways by quantum Monte Carlo: insight on the torsion barrier of 1,3-butadiene, and the conrotatory ring opening of cyclobuteneAb Initio Geometry and Bright Excitation of Carotenoids: Quantum Monte Carlo and Many Body Green's Function Theory Calculations on Peridinin.Molecular Properties by Quantum Monte Carlo: An Investigation on the Role of the Wave Function Ansatz and the Basis Set in the Water Molecule.Properties of reactive oxygen species by quantum Monte Carlo.Kohn-Sham orbitals and potentials from quantum Monte Carlo molecular densities.
P2860
Optimized Structure and Vibrational Properties by Error Affected Potential Energy Surfaces
description
2012 nî lūn-bûn
@nan
2012年の論文
@ja
2012年論文
@yue
2012年論文
@zh-hant
2012年論文
@zh-hk
2012年論文
@zh-mo
2012年論文
@zh-tw
2012年论文
@wuu
2012年论文
@zh
2012年论文
@zh-cn
name
Optimized Structure and Vibrat ...... cted Potential Energy Surfaces
@en
type
label
Optimized Structure and Vibrat ...... cted Potential Energy Surfaces
@en
prefLabel
Optimized Structure and Vibrat ...... cted Potential Energy Surfaces
@en
P2860
P356
P1476
Optimized Structure and Vibrat ...... cted Potential Energy Surfaces
@en
P2093
Delyan Zhelyazov
P2860
P304
P356
10.1021/CT300576N
P577
2012-11-01T00:00:00Z