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Wiley电子期刊(15)
SpringerLink电子期刊(52)
Elsevier电子期刊(136)
ACS电子期刊(79)
在“
Wiley电子期刊
”中,
命中:
15
条,耗时:小于0.01 秒
在所有数据库中总计命中:
282
条
1.
Water-mediated intermolecular interactions in 1,2-
O
-cyclohexylidene-
myo
-inositol: a quantitative
analysis
作者:
Gayathri Purushothaman
;
Kapil Juvale
;
Sivapriya Kirubakaran
;
Praveen Kumar Vemula and Vijay Thiruvenkatam
关键词:
myo-inositol
;
geometry optimization
;
crystal structure
;
Hirshfeld
surface
analysis
;
lattice energy
;
transmembrane signalling
;
potential chemotherapeutic agent
刊名:Acta Crystallographica Section C
出版年:2017
2.
Charge density
analysis
of metformin chloride, a biguanide anti-hyperglycemic agent
作者:
Rajendran Niranjana Devi
;
Christian Jelsch
;
Samuel Israel
;
Emmanuel Aubert
;
Chellam Anzline and Amar A. Hosamani
关键词:
bond order
;
Hirshfeld
surface
;
electrostatic potential
刊名:Acta Crystallographica Section B
出版年:2017
3.
Ligand-forced dimerization of copper(I)-olefin complexes bearing a 1,3,4-thiadiazole core
作者:
Bohdan Ardan
;
Vasyl Kinzhybalo
;
Yurii Slyvka
;
Olga Shyyka
;
Mykhaylo Luk`yanov
;
Tadeusz Lis and Marian Mys`kiv
关键词:
copper(I)
;
&pi
;
-complex
13 ;
4-thiadiazole
;
Hirshfeld
surface
analysis
;
crystal structure
;
electrochemical technique
刊名:Acta Crystallographica Section C
出版年:2017
4.
Hirshfeld
and DFT
analysis
of the N-heterocyclic carbene proligand methylenebis(N-butylimidazolium) as the acetonitrile-solvated diiodide salt
作者:
Andrea Cebollada
;
Alba Vellé
;
and Pablo J. Sanz Miguel
关键词:
N-heterocyclic carbene
;
NHC
;
C&mdash
;
H&hellip
;
I hydrogen bonds
;
imidazolium salts
;
interaction pattern
;
Hirshfeld
surface
analysis
;
DFT
analysis
;
computational chemistry
;
crystal structure
;
catalysis
刊名:Acta Crystallographica Section C
出版年:2016
5.
New Charge-Transfer Complexes with 1,2,5-Thiadiazoles as Both Electron Acceptors and Donors Featuring an Unprecedented Addition Reaction
作者:
Elena A. Chulanova
;
Elena A. Pritchina
;
Lorraine A. Malaspina
;
Prof. Simon Grabowsky
;
Farzin Mostaghimi
;
Prof. Jens Beckmann
;
Prof. Irina Yu. Bagryanskaya
;
Margarita V. Shakhova
;
Prof. Lidia S. Konstantinova
;
Prof. Oleg A. Rakitin
;
Prof. Nina P. Gritsan and Prof. Andrey V. Zibarev
刊名:Chemistry - A European Journal
出版年:2017
6.
Conformational polymorphs of isobutyl-6-amino-5-cyano-2-methyl-4-phenyl-4
H
-pyran-3-carboxylate: spectroscopic, structural and DFT approach
作者:
A. Aditya Prasad
;
C. Udhaya Kumar
;
B. Arul Prakasam and S. P. Meenakshisundaram
关键词:
polymorphism
;
single-crystal X-ray diffraction
;
density functional theory
;
Hirshfeld
surface
analysis
;
fingerprint
analysis
刊名:Acta Crystallographica Section B
出版年:2016
7.
Synthesis and characterization of four organic-inorganic salts: sulfates of 2-aminopyridinium derivatives
作者:
Tamara J. Bednarchuk
;
Vasyl Kinzhybalo and Adam Pietraszko
关键词:
organic&ndash
;
inorganic salts
;
sulfate
;
hybrid materials
;
2-amino-4-methyl-3-nitropyridine
;
2-amino-3-methylpyridine
;
crystal structure
;
intramolecular hydrogen bonds
;
intermolecular hydrogen bonds
;
Hirshfeld
surface
analysis
刊名:Acta Crystallographica Section C
出版年:2016
8.
Topological characterization of electron density, electrostatic potential and intermolecular interactions of 2-nitroimidazole: an experimental and theoretical study
作者:
Chinnasamy Kalaiarasi
;
Mysore S Pavan and Poomani Kumaradhas
关键词:
2-nitroimidazole
;
radiosensitizer
;
Hirshfeld
surface
;
charge-density distribution
;
electrostatic potential
刊名:Acta Crystallographica Section B
出版年:2016
9.
Conformational differences and intermolecular C—H…N interactions in three polymorphs of a bis(pyridinyl)-substituted benzimidazole
作者:
David K. Geiger and Matthew R. DeStefano
关键词:
polymorph
;
density functional theory
;
Hirshfeld
surface
;
computational chemistry
;
crystal structure
;
crystal engineering
;
interaction energy
;
C&mdash
;
H&hellip
;
N interaction
刊名:Acta Crystallographica Section C
出版年:2016
10.
Concomitant polymorphs of 1,3-bis(3-fluorophenyl)urea
作者:
Christina A. Capacci-Daniel
;
Jeffery A. Bertke
;
Shoaleh Dehghan
;
Rupa Hiremath-Darji and Jennifer A. Swift
关键词:
diphenylurea
;
polymorph
;
fluorine
;
hydrogen-bonding motifs
;
Hirshfeld
surface
analysis
;
crystal structure
刊名:Acta Crystallographica Section C
出版年:2016
1
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