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SpringerLink电子期刊(2)
Elsevier电子期刊(23)
ACS电子期刊(4)
在“
Elsevier电子期刊
”中,
命中:
23
条,耗时:小于0.01 秒
在所有数据库中总计命中:
29
条
1.
An experimental and DFT study of a disulfide-linked Schiff base: Synthesis, characterization and crystal structure of bis (3-methoxy-salicylidene-2-aminophenyl) disulfide in its anhydrous and monohydrate forms
作者:
Ver贸nica Ferraresi-Curotto
;
Gustavo A. Echeverr铆a
;
Oscar E. Piro
;
Reinaldo
Pis
-
Diez
;
Ana C. Gonz谩lez-Bar贸
关键词:
2-Aminothiophenol
;
o-Vanillin
;
X-ray diffraction
;
Spectroscopy
;
DFT calculations
刊名:Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
出版年:24 January, 2014
2.
Photoinduced reduction of divalent mercury by quinones in the presence of formic acid under anaerobic conditions
作者:
Andrea M. Berkovic
;
Sonia G. Bertolotti
;
Laura S. Villata
;
M¨®nica C. Gonzalez
;
Reinaldo
Pis
Diez
;
Daniel O. M¨¢rtire
关键词:
Mercury
;
Mercury photo-reduction
;
Naphthoquinone
;
Fulvic acid
;
DOM triplet states
;
Flash-photolysis
刊名:Chemosphere
出版年:2012
3.
Density functional study on the geometric features and growing pattern of Al
n
N
m
clusters (n = 1–4, m = 1–4, n + m 5)
作者:
Veró
;
nica Ferraresi Curotto
1
;
a
;
Reinaldo
Pis
Diez
;
a
;
pis
_
diez
@quimica.unlp.edu.ar"" rel=""nofollow
关键词:
Al–
;
N clusters
;
Growing pattern
;
Density functional theory
刊名:Computational Materials Science
出版年:2011
4.
Cyclocreatine, an anticancer and neuroprotective agent. Spectroscopic, structural and theoretical study
作者:
Reinaldo
Pis
-
Diez
;
Beatriz S. Parajó
;
n-Costa
;
Carlos A. Franca
;
Oscar E. Piro
;
Eduardo E. Castellano
;
Ana C. Gonzá
;
lez-Baró
关键词:
Cyclocreatine
;
Structure elucidation
;
RX-diffraction
;
Spectroscopy
;
Density functional theory
刊名:Journal of Molecular Structure
出版年:2010
5.
Physicochemical characterization of Cu(II) complexes with SOD-like activity, theoretical studies and biological assays
作者:
Ana C. Gonzá
;
lez-Baró
;
Reinaldo
Pis
-
Diez
;
Carlos A. Franca
;
Marí
;
a H. Torre
;
Beatriz S. Parajó
;
n-Costa
关键词:
Copper(II) complexes
;
Antioxidants
;
Electrochemical properties
;
DFT calculations
;
SOD activity
;
Antimicrobial activity
刊名:Polyhedron
出版年:2010
6.
Experimental and theoretical study of the conformational, vibrational and magnetic properties of 4,6-di-O
作者:
M. Lujá
;
n Alegre
;
Reinaldo
Pis
Diez
;
Pedro A. Colinas
关键词:
IR spectrum
;
NMR spectrum
;
DFT calculations
;
N
-Glycosyl sulfonamides
刊名:Journal of Molecular Structure
出版年:2009
7.
On the calculation of
15
N chemical shifts using linear regression formulae. A performance comparison of different methods
作者:
Carlos A. Franca
;
Reinaldo
Pis
Diez
;
Alicia H. Jubert
关键词:
NMR chemical shifts
;
Linear regression formulae
;
Density functional theory
刊名:Journal of Molecular Structure: THEOCHEM
出版年:2008
8.
Crystal structures, theoretical calculations, spectroscopic and electrochemical properties of Cr(III) complexes with dipicolinic acid and 1,10-phenantroline
作者:
Ana C. Gonzá
;
lez-Baró
;
Reinaldo
Pis
-
Diez
;
Oscar E. Piro
;
Beatriz S. Parajó
;
n-Costa
关键词:
Chromium-complexes
;
X-ray structure
;
Spectroscopy
;
Density functional calculations
;
Redox properties
刊名:Polyhedron
出版年:2008
9.
Theoretical and spectroscopic study of vanillic acid
作者:
Ana Cecilia Gonzá
;
lez-Baró
;
Beatriz Susana Parajó
;
n-Costa
;
Carlos Alberto Franca
;
Reinaldo
Pis
-
Diez
关键词:
Vanillic acid
;
Density functional theory
;
Molecular dynamics simulations
;
Vibrational spectroscopy
;
Electronic spectroscopy
刊名:Journal of Molecular Structure
出版年:2008
10.
Experimental and theoretical study of the proton methoxy chemical shifts of substituted 3,4-dimethoxyphenethylamines and maleimide/phthalimide derivatives
作者:
Arturo A. Vitale
;
Adriana E. Stahl
;
P. Cecilia dos Santos Claro
;
M. Alej
;
ra Floridia Addato
;
Reinaldo
Pis
Diez
;
Alicia H. Jubert
关键词:
Substituted dimethoxyphenethylamines
;
Maleimide/phthalimide derivatives
;
Methoxy chemical shifts
;
Density functional calculations
刊名:Journal of Molecular Structure
出版年:2008
1
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