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命中:
5
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1.
H2SOLV: Fortran solver for diatomic
molecule
s in explicitly correlated exponential basis
作者:
K. Pachuckia
;
krp@fuw.edu.pl" class="auth_mail" title="E-mail the corresponding author
;
M. Zientkiewicza
;
V.A. Yerokhinb
关键词:
Schrö
;
dinger equation
;
Explicitly correlated basis set
;
Hydrogen
molecule
刊名:Computer Physics Communications
年:2016
2.
Assessing the reliability of van der Waals DFT functionals to study the physisorption of molecular
hydrogen
on aromatic systems
作者:
Cristina Díaz
关键词:
Physisorption
;
Hydrogen
;
DFT
;
van der Waals functionals
刊名:Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)
出版者:Springer Berlin / Heidelberg
年:2015
3.
Experimental study of polyvinyl alcohol degradation in aqueous solution by UV/H2O2 process
作者:
Dina Hamad
;
Mehrab Mehrvar
;
Ramdhane Dhib
;
rdhib@ryerson.ca" class="auth_mail
关键词:
Advanced oxidation process
;
UV/H2O2 process
;
Polyvinyl alcohol degradation
;
Water-soluble polymer
;
Feeding strategy
刊名:Polymer Degradation and Stability
年:May, 2014
4.
Highly sensitive electrochemical lead ion sensor harnessing peptide probe
molecule
s on porous gold electrodes
作者:
Wenqiong Sua
;
c
;
MiSuk Choa
;
Jae-Do Namb
;
Woo-Seok Choea
;
Youngkwan Leea
;
yklee@skku.edu
关键词:
Lead ion
;
Peptide
;
Electrochemical biosensor
;
Porous gold
;
Poly(thiophene acetic acid)
刊名:Biosensors and Bioelectronics
年:2013
5.
Mono-manganese mechanism of the photosytem II water splitting reaction by a unique Mn4Ca cluster
作者:
Masami Kusunoki
关键词:
Photosynthesis
;
Photosystem II
;
Oxygen evolution
;
Water oxidation
;
Manganese cluster
;
DFT B3LYP method
;
Tautomerism
;
Manganese EPR
;
Water exchange kinetics
刊名:Biochimica et Biophysica Acta (BBA)/Bioenergetics
年:2007
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