Diabatic-At-Construction Method for Diabatic and Adiabatic Ground and Excited States Based on Multistate Density Functional Theory.
about
Spin-Multiplet Components and Energy Splittings by Multistate Density Functional Theory.Electronic structure and time-dependent description of rotational predissociation of LiH.Combined Multistate and Kohn-Sham Density Functional Theory Studies of the Elusive Mechanism of -Dealkylation of -Dimethylanilines Mediated by the Biomimetic Nonheme Oxidant Fe(O)(N4Py)(ClO)
P2860
Diabatic-At-Construction Method for Diabatic and Adiabatic Ground and Excited States Based on Multistate Density Functional Theory.
description
2017 nî lūn-bûn
@nan
2017年の論文
@ja
2017年学术文章
@wuu
2017年学术文章
@zh
2017年学术文章
@zh-cn
2017年学术文章
@zh-hans
2017年学术文章
@zh-my
2017年学术文章
@zh-sg
2017年學術文章
@yue
2017年學術文章
@zh-hant
name
Diabatic-At-Construction Metho ...... ate Density Functional Theory.
@en
Diabatic-At-Construction Metho ...... ate Density Functional Theory.
@nl
type
label
Diabatic-At-Construction Metho ...... ate Density Functional Theory.
@en
Diabatic-At-Construction Metho ...... ate Density Functional Theory.
@nl
prefLabel
Diabatic-At-Construction Metho ...... ate Density Functional Theory.
@en
Diabatic-At-Construction Metho ...... ate Density Functional Theory.
@nl
P2093
P2860
P356
P1476
Diabatic-At-Construction Metho ...... tate Density Functional Theory
@en
P2093
P2860
P304
P356
10.1021/ACS.JCTC.6B01176
P577
2017-02-13T00:00:00Z