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Elsevier电子期刊(98)
在“
Elsevier电子期刊
”中,
命中:
98
条,耗时:0.0659768 秒
在所有数据库中总计命中:
186
条
1.
Centrosymmetric
resonance
-
assisted
intermolecular
hydrogen
bond
ing chains in the enol form of β-diketone: Crystal structure and theoretical study
作者:
Eduardo F. Franca
a
;
eduardofranca@ufu.br" class="auth_mail" title="E-mail the corresponding author
;
eduardoffranca@yahoo.com.br" class="auth_mail" title="E-mail the corresponding author
;
Silvana Guilardi
a
;
Drielly A. Paixã
;
o
a
;
Ró
;
bson R. Teixeira
;
b
;
robsonr.teixeira@ufv.br" class="auth_mail" title="E-mail the corresponding author
;
Wagner L. Pereira
b
;
Javier A. Ellena
c
关键词:
Resonance
assisted
hydrogen
bond
s (RAHBs)
;
X-ray structure
;
Semi-empirical and DFT calculations
;
Phtalides
;
Isobenzofuranones
刊名:Journal of Molecular Graphics and Modelling
出版年:2016
2.
Fluorine atom influence on intramolecular
hydrogen
bond
ing, isomerization and methyl group rotation in fluorinated acetylacetones
作者:
Brett De Vries
;
Mark Muyskens
;
mark.muyskens@calvin.edu" class="auth_mail" title="E-mail the corresponding author
关键词:
Photoelimination
;
Proton transfer
;
Resonance
-
assisted
hydrogen
bond
;
Density functional calculations
;
Methyl rotation coupling
刊名:Computational and Theoretical Chemistry
出版年:2016
3.
On the performance of
resonance
assisted
hydrogen
bond
theory in malonaldehyde derivatives
作者:
Ebrahim Nakhaei
a
;
Alireza Nowroozi
b
;
anowroozi@chem.usb.ac.ir" class="auth_mail" title="E-mail the corresponding author
关键词:
Malonaldehyde
;
Intramolecular
hydrogen
bond
;
Π-electron delocalization
;
Aromaticity indices
;
AIM
;
NBO
刊名:Computational and Theoretical Chemistry
出版年:2016
4.
An unusual Cu(II) complex of a Schiff-base ligand of 3-aminoquinoline with a hydronated pyridine unit: Synthesis, characterizations, and computational studies
作者:
Sanjit Nayak
a
;
b
;
;
Andrej Pevec
c
;
Colin C. Seaton
b
;
Patrick Gamez
a
;
d
;
Jan Reedijk
a
;
e
;
关键词:
Copper(II) complex
;
Schiff base
;
Jahn&ndash
;
Teller effect
;
Hydrogen
bond
;
Coordination chemistry
刊名:Polyhedron
出版年:2016
5.
Powder grinding preparation of co-amorphous β-azelnidipine and maleic acid combination: Molecular interactions and physicochemical properties
作者:
Yazhu Han
;
Yahui Pan
;
Jie Lv
;
Wei Guo
;
Jing Wang
;
jingwang@home.ipe.ac.cn" class="auth_mail" title="E-mail the corresponding author
关键词:
β-AZE
;
β-azelnidipine
;
MAL
;
maleic acid
;
NG
;
neat powder grinding
;
SG
;
solvent-
assisted
grinding
;
PM
;
physical mixtures
;
PXRD
;
powder X-ray diffraction
;
SEM
;
scanning electric microscope
;
DSC
;
differential scanning calorimetry
;
FT-IR
;
Fourier-transform infrared
;
SsNMR
;
solid-state nuclear magnetic
resonance
;
THz
;
terahertz
;
API
;
active pharmaceutical ingredients
;
Tg
;
glass transition temperature
刊名:Powder Technology
出版年:2016
6.
Intramolecular
resonance
-
assisted
hydrogen
bond
s: A theoretical description by means of atomic charges and charge fluxes
作者:
Goran Baranovi膰
关键词:
Hydrogen
bond
s
;
Infrared intensity
;
Atomic polar tensor
;
Atomic charge
;
Charge flux
;
Density functional calculation
刊名:Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
出版年:3 January, 2014
7.
Geometrical criteria versus quantum chemical criteria for assessment of intramolecular
hydrogen
bond
(IMHB) interaction: A computational comparison into the effect of chlorine substitution on IMHB of salicylic acid in its lowest energy ground state confor
作者:
Bijan Kumar Paul
1
;
Nikhil Guchhait
;
nikhil.guchhait@rediffmail.com
;
nguchhait@yahoo.com
关键词:
Density functional theory
;
Intramolecular
hydrogen
bond
;
Substituted salicylic acid
;
Atoms-in-molecule
;
Molecular electrostatic potential
;
Resonance
-
assisted
hydrogen
bond
ing
刊名:Chemical Physics
出版年:2013
8.
A computational acumen into the relative applicability of geometrical and quantum chemical criteria in assessing intramolecular
hydrogen
bond
ing (IMHB) interaction: 5-Halosalicylic acids as representative examples
作者:
Aniruddha Ganguly
;
Bijan Kumar Paul
;
Soumen Ghosh
;
Nikhil Guchhait
关键词:
Density functional theory
;
Intramolecular
hydrogen
bond
ing
;
Atoms-In-Molecule
;
Natural
Bond
Orbital
;
Molecular electrostatic potential
;
Resonance
assisted
hydrogen
bond
刊名:Computational and Theoretical Chemistry
出版年:2013
9.
Co
II
, Ni
II
and UO
2
II
complexes with β-diketones and their arylhydrazone derivatives: Synthesis, structure and catalytic activity in Henry reaction
作者:
Zhen Ma
a
;
b
;
Manas Sutradhar
b
;
Atash V. Gurbanov
c
;
Abel M. Maharramov
c
;
Rafiga A. Aliyeva
c
;
Farqana S. Aliyeva
c
;
Fidan N. Bahmanova
c
;
Vusala I. Mardanova
c
;
Famil M. Chyragov
c
;
Kamran T. Mahmudov
b
;
c
;
kamran_chem@yahoo.com" class="auth_mail" title="E-mail the corresponding author
;
kamran_chem@mail.ru" class="auth_mail" title="E-mail the corresponding author
关键词:
β-Diketones
;
Arylhydrazones of β-diketones
;
N
;
N-Diethylnicotinamide
;
Cobalt
;
nickel and uranyl complexes
;
Henry reaction
刊名:Polyhedron
出版年:2015
10.
Molecular structure and OH?O
hydrogen
bond
in 1-aryl-1,3-diketone malonates
作者:
Federico Jimé
;
nez-Cruz
;
jimenezf@imp.mx
;
Lubanski Fragoza Mar
;
Jose Luis Garcí
;
a-Gutierrez
关键词:1 ;
3-Diketone malonates
;
Tautomerization
;
Resonance
assisted
hydrogen
bond
ing
;
DFT
;
X-ray diffraction
;
Benzoylacetone
刊名:Journal of Molecular Structure
出版年:2013
1
2
3
4
5
6
7
8
9
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