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在“
Elsevier电子期刊
”中,
命中:
1
条,耗时:0.0650025 秒
1.
DFT estimates of water environment impact on the reversible 2e
∿/sup> + 2H
+
oxidation of aniline tetramer
作者:
Nuno Almeida Barbosa
nuno.almeidabarbosa@chem.uni.
wroc
.pl"
class
="auth_mail"
title
="E-mail the
corresponding
author
;
Maria Grzeszczuk
maria.grzeszczuk@chem.uni.
wroc
.pl"
class
="auth_mail"
title
="E-mail the
corresponding
author
;
Akmaral
Kussay
eva
akmaral
.
kussay
eva@chem.uni.
wroc
.pl"
class
="auth_mail"
title
="E-mail the
corresponding
author
;
Robert Wieczorek
;
robert.wieczorek@chem.uni.
wroc
.pl"
class
="auth_mail"
title
="E-mail the
corresponding
author
关键词:
Molecular structure
;
Reaction energy
;
Reorganization energy
;
Electrode potentials
;
Redox
;
Polarizable Continuum Model (PCM)
;
Polarizable Conductor Calculation Model (CPCM)
;
Polyaniline (PANI)
;
Ionization energy
;
Electron affinity
;
Density Functional Theory (DFT)
刊名:Computational and Theoretical Chemistry
出版年:2016
1
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作者(1)
按出版年细分(1)
2016年(1)
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