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Volume 27; Issue 4
Main
Structural Chemistry
Volume 27; Issue 4
Structural Chemistry
Volume 27; Issue 4
1
Density functional theory study of the regio‐ and stereoselectivity of 1,3-dipolar cycloaddition reactions between 2-ethylthio-4-phenyl-1-azetin and some substituted nitrile oxides
Khojastehnezhad, Amir
,
Eshghi, Hossein
,
Moeinpour, Farid
,
Bakavoli, Mehdi
,
Izadyar, Mohammad
,
Tajabadi, Javad
Journal:
Structural Chemistry
Year:
2016
Language:
english
File:
PDF, 839 KB
Your tags:
english, 2016
2
Interconversion of host–guest components in supramolecular assemblies of polycarboxylic acids and reduced Schiff bases
Singh, Udai P.
,
Tomar, Kapil
,
Kashyap, Sujata
Journal:
Structural Chemistry
Year:
2016
Language:
english
File:
PDF, 1.89 MB
Your tags:
english, 2016
3
Anion-/cation-directed reaction routes to polymorphic forms of a pyrazole-type ligand and its coordination compounds with zinc. Key structural differences between polymorphs’
Barta Holló, Berta
,
Mészáros Szécsényi, Katalin
,
Deli, Mária
,
Kiss, Lóránd
,
Kállay-Menyhárd, Alfréd
,
Živković-Radovanović, Vukosava
,
Tomić, Zoran D.
Journal:
Structural Chemistry
Year:
2016
Language:
english
File:
PDF, 1.42 MB
Your tags:
english, 2016
4
The intricacies of the stacking interaction in a pyrrole–pyrrole system
Sierański, Tomasz
Journal:
Structural Chemistry
Year:
2016
Language:
english
File:
PDF, 4.95 MB
Your tags:
english, 2016
5
Hirshfeld surface analysis and spectroscopic and DFT studies of p-acetotoluidide and p-thioacetotoluidide
Śmiszek-Lindert, Wioleta
,
Chełmecka, Elżbieta
,
Dudzińska, Anna
Journal:
Structural Chemistry
Year:
2016
Language:
english
File:
PDF, 5.66 MB
Your tags:
english, 2016
6
A comparison of the structure and bonding in the aliphatic boronic R–B(OH)2and borinic R–BH(OH) acids (R=H; NH2, OH, and F): a computational investigation
Rao, Niny Z.
,
Larkin, Joseph D.
,
Bock, Charles W.
Journal:
Structural Chemistry
Year:
2016
Language:
english
File:
PDF, 630 KB
Your tags:
english, 2016
7
Theoretical insights into nature of π-hole interactions between triel centers (B and Al) and radical methyl as a potential electron donor: Do single-electron triel bonds exist?
Esrafili, Mehdi D.
,
Mohammadian-Sabet, Fariba
Journal:
Structural Chemistry
Year:
2016
Language:
english
File:
PDF, 2.15 MB
Your tags:
english, 2016
8
Computational prediction of electronic excited-state structures and properties of 2,4-dinitroanisole (DNAN)
Shukla, Manoj K.
Journal:
Structural Chemistry
Year:
2016
Language:
english
File:
PDF, 1.09 MB
Your tags:
english, 2016
9
DFT study on reaction mechanisms of cyclic dipeptide generation
Li, Yue
,
Li, Fangfang
,
Zhu, Yanyan
,
Li, Xue
,
Zhou, Ziyuan
,
Liu, Chunmei
,
Zhang, Wenjing
,
Tang, Mingsheng
Journal:
Structural Chemistry
Year:
2016
Language:
english
File:
PDF, 1.14 MB
Your tags:
english, 2016
10
Theoretical design and selectivity researches on the enrofloxacin imprinted polymer
Dai, Zheng-qiang
,
Liu, Jun-bo
,
Tang, Shan-shan
,
Wang, Yan
,
Li, Bo
,
Jin, Rui-fa
Journal:
Structural Chemistry
Year:
2016
Language:
english
File:
PDF, 1.49 MB
Your tags:
english, 2016
11
Influence of solvent environment using the CPCM model on the H-bond geometry in the complexes of phosphorus acids with DMSO
Fedorova, Irina V.
,
Safonova, Lyubov P.
Journal:
Structural Chemistry
Year:
2016
Language:
english
File:
PDF, 604 KB
Your tags:
english, 2016
12
Optical absorption and emission properties of benzene-expanded Janus AT nucleobase analogues: A DFT study
Liu, Hongxia
,
Song, Qixia
,
Wang, Haijun
Journal:
Structural Chemistry
Year:
2016
Language:
english
File:
PDF, 1.07 MB
Your tags:
english, 2016
13
The influence of CH…π interaction on hydrogen bonding ability of –CONH2functional group of benzamide
Momeni, Zabihollah
,
Ebrahimi, Ali
Journal:
Structural Chemistry
Year:
2016
Language:
english
File:
PDF, 590 KB
Your tags:
english, 2016
14
The effect of heteroatoms and end groups of polymethines on the all-optical switching processing application: a CC2 calculation
Wang, Chao
,
Yuan, Yizhong
,
Tian, Xiaohui
,
Yuan, Jianyong
,
Sun, Jinyu
Journal:
Structural Chemistry
Year:
2016
Language:
english
File:
PDF, 1.42 MB
Your tags:
english, 2016
15
Theoretical investigation of carboranylpyrrole structures and the thermal resistance and conducting properties of carboranylpyrrole polymers
Ge, Yuhua
,
Li, Tingting
,
Shi, Liangwei
Journal:
Structural Chemistry
Year:
2016
Language:
english
File:
PDF, 1.31 MB
Your tags:
english, 2016
16
First principle study of adsorption of boron-halogenated system on pristine graphyne
Deb, Jyotirmoy
,
Bhattacharya, Barnali
,
Singh, Ngangbam Bedamani
,
Sarkar, Utpal
Journal:
Structural Chemistry
Year:
2016
Language:
english
File:
PDF, 1.27 MB
Your tags:
english, 2016
17
Theoretical investigation of the hydrogen bond interactions of methanol and dimethylamine with hydrazone and its derivatives
Zhao, Hailiang
,
Tang, Shanshan
,
Li, Siyang
,
Ding, Lei
,
Du, Lin
Journal:
Structural Chemistry
Year:
2016
Language:
english
File:
PDF, 1.32 MB
Your tags:
english, 2016
18
Investigation of aggregation behavior using computational methods and absorption spectra for trisazo direct dyes
Muntean, Simona Gabriela
,
Szabadai, Zoltan
,
Halip, Liliana
Journal:
Structural Chemistry
Year:
2016
Language:
english
File:
PDF, 1.81 MB
Your tags:
english, 2016
19
Interactions of polar hydrogen bond donor solvents with ions: a theoretical study
Jaworski, Jan S.
,
Bankiewicz, Barbara
,
Krygowski, T. Marek
,
Palusiak, Marcin
,
Stasyuk, Olga A.
,
Szatylowicz, Halina
Journal:
Structural Chemistry
Year:
2016
Language:
english
File:
PDF, 1.39 MB
Your tags:
english, 2016
20
Structural similarities and diversity in a series of crystalline solids composed of 2-aminopyridines and glutaric acid
Draguta, Sergiu
,
Fonari, Marina S.
,
Bejagam, Shabari Nath
,
Storms, Kathryn
,
Lindline, Jennifer
,
Timofeeva, Tatiana V.
Journal:
Structural Chemistry
Year:
2016
Language:
english
File:
PDF, 1.74 MB
Your tags:
english, 2016
21
A description of hydrogen bonds in the chromium(III)-crosslinked collagen: insight from the molecular dynamics simulation
Ding, Yun-qiao
,
Guo, Dong-hui
,
Cheng, Jin-yong
,
Zhang, Hua-yong
,
Sui, Meng-meng
Journal:
Structural Chemistry
Year:
2016
Language:
english
File:
PDF, 1.69 MB
Your tags:
english, 2016
22
The nitrogen inversion in fused isoxazolidinyl derivatives of substituted uracil: synthesis, NMR and computational analysis
Kuprianowicz, Mateusz
,
Kaźmierczak, Marcin
,
Wójtowicz-Rajchel, Hanna
Journal:
Structural Chemistry
Year:
2016
Language:
english
File:
PDF, 1.30 MB
Your tags:
english, 2016
23
A comprehensive computational analysis of cathinone and its metabolites using quantum mechanical approaches and docking studies
Kolodziejczyk, Wojciech
,
Kar, Supratik
,
Hill, Glake A.
,
Leszczynski, Jerzy
Journal:
Structural Chemistry
Year:
2016
Language:
english
File:
PDF, 1.51 MB
Your tags:
english, 2016
24
Features of the interactions between the methyl-CpG motif and the arginine residues on the surface of MBD proteins
Mezei, Pál D.
,
Csonka, Gábor I.
Journal:
Structural Chemistry
Year:
2016
Language:
english
File:
PDF, 1.19 MB
Your tags:
english, 2016
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