Volume 24; Issue 5

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Structural Chemistry
Volume 24; Issue 5

Structural Chemistry

Volume 24; Issue 5

1

A theoretical study on the structure and hygroscopicity of ammonium dinitramide

Wang, F., Liu, H., Gong, X. D.

Journal:

Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 455 KB

english, 2013

2

Aromatic interaction profile to understand the molecular basis of raltegravir resistance

Balaraju, Tuniki, Kumar, Amit, Bal, Chandralata, Chattopadhyay, Debprasad, Jena, Nivedita, Bal, Naresh Chandra, Sharon, Ashoke

Journal:

Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 805 KB

english, 2013

3

Molecular design of trinitromethyl-substituted nitrogen-rich heterocycle derivatives with good oxygen balance as high-energy density compounds

Wu, Qiong, Zhu, Weihua, Xiao, Heming

Journal:

Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 483 KB

english, 2013

4

Theoretical studies on tautomerism of 1H-pyrazole-5-thiol

Beni, Alireza Salimi, Chermahini, Zahra Jafari

Journal:

Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 616 KB

english, 2013

5

Influence of oxygen/sulfur-termination on electronic structure and surface electrostatic potential of (6,0) carbon nanotube: a DFT study

Esrafili, Mehdi D.

Journal:

Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 509 KB

english, 2013

6

Synthesis, Raman, X-ray diffraction, and density functional studies of antimony(III) heterotetracycles displaying intramolecular transannular interactions O

GuzmÃ¡n-PercÃ¡stegui, Edmundo, Cruz-Borbolla, JuliÃ¡n, Alvarado-RodrÃguez, JosÃ© G., Andrade-LÃ³pez, NoemÃ, Pandiyan, Thangarasu, Rojas-Navarrete, RaÃºl

Journal:

Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 595 KB

english, 2013

7

QSAR analysis of poliovirus inhibition by dual combinations of antivirals

Muratov, E. N., Varlamova, E. V., Artemenko, A. G., Polishchuk, P. G., Nikolaeva-Glomb, L., Galabov, A. S., Kuzâmin, V. E.

Journal:

Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 1.49 MB

english, 2013

8

A theoretical investigation of the structure of 2-nitropyridine-N-oxide and the dependency of the NO2torsional motion on the applied wavefunction and basis set

Dakkouri, Marwan, Typke, Volker

Journal:

Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 1.15 MB

english, 2013

9

Si-decorated graphene: a superior media for lithium-ions storage

Sharifi, Narges, Ardjmand, Mahdi, Ahangari, Morteza Ghorbanzadeh, Ganji, Masoud Darvish

Journal:

Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 1010 KB

english, 2013

10

Interplay of thermochemistry andStructural Chemistry, the journal (volume 23, 2012, issues 4–6) and the discipline

Maja Ponikvar-Svet, Diana N. Zeiger, Loryn R. Keating…

Journal:

Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 509 KB

english, 2013

11

Comparative study on the stabilities and properties of heterodimers containing the intermolecular interactions of CF2Cl2with the isoelectronic and isostructure species of N2O and CO2

Abdolvahab Seif, Sattar Ebrahimi, Esmail Vessally, Moein Goodarzi

Journal:

Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 412 KB

english, 2013

12

Revealing substituent effects on the concerted interaction of pnicogen, chalcogen, and halogen bonds in substituteds-triazine ring

Mohammad Solimannejad, Alireza Gholipour

Journal:

Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 493 KB

english, 2013

13

Effect of conformational parameters on physical properties of polymers containing pendant phenoxyphthalonitrile substituents

Ionela-Daniela Carja, Corneliu Hamciuc, Tachita Vlad-Bubulac…

Journal:

Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 518 KB

english, 2013

14

Conventional strain energies of 1,2-dihydroazete, 2,3-dihydroazete, 1,2-dihydrophosphete, and 2,3-dihydrophosphete

Shelley A. Smith, Qianyi Cheng, Glake Hill, David H. Magers

Journal:

Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 443 KB

english, 2013

15

Computational study on the crystal structure, thermodynamic properties, detonation performance and pyrolysis mechanism of a novel high density cage compound 10-(5-nitrimino-1,2,3,4-tetrazol-1-yl)methyl-2,4,6,8,12-pentanitrohexaazaisowurtzitane

He Lin, Shun-Guan Zhu, Lin Zhang, Xin-Hua Peng, Peng-Yuan Chen…

Journal:

Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 417 KB

english, 2013

16

Density functional theory study of mechanism of forming a spiro-Ge-heterocyclic ring compound from H2Ge=Ge: and ethene

Weijie Bao, Yongqing Li, Xiuhui Lu

Journal:

Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 558 KB

english, 2013

17

Theoretical study on the kinetics and branching ratios of the gas phase reactions of 1, 1-Dichlorodimethylether (DCDME) with Cl atom

Bhupesh Kumar Mishra, Arup Kumar Chakrabartty…

Journal:

Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 423 KB

english, 2013

18

Theoretical study of molecular interactions of sulfur ylide with HSX (X = F, Cl, and Br) molecules

Abedien Zabaradsti, Ali Kakanejadifard, Motaleb Ghasemian…

Journal:

Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 466 KB

english, 2013

19

Spin-orbit ab initio investigation of the photodissociation of C2H5Br

Wen-Zuo Li, Yu-Wei Pei, Cui-Ping Xiao, Qing-Zhong Li, Jian-Bo Cheng

Journal:

Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 294 KB

english, 2013

20

Theoretic design of 1,2,3,4-tetrazine-1,3-dioxide-based high-energy density compounds with oxygen balance close to zero

Qiong Wu, Yong Pan, Xuelan Xia, Yuling Shao, Weihua Zhu…

Journal:

Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 559 KB

english, 2013

21

Functionalization of BN nanosheet with N2H4may be feasible in the presence of Stone–Wales defect

Javad Beheshtian, Ali Ahmadi Peyghan, Zargham Bagheri

Journal:

Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 579 KB

english, 2013

22

Coordination number effect of nitrogen atom on the structures and NLO responses: alkaline earth-based alkalides

Yin-Feng Wang, Jiangen Huang, Guangpei Zhou

Journal:

Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 483 KB

english, 2013

23

Systematic kinetic study of H2release from the dimer of lithium amidoborane (LiNH2BH3)2

Kun Wang, Jian-Guo Zhang, Wei Yang, Man Wu, Tian-Tian Man…

Journal:

Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 851 KB

english, 2013

24

Theoretical study on the gas phase reaction mechanism of acetylene with nitrous oxide

Fereshte Karami, Morteza Vahedpour

Journal:

Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 705 KB

english, 2013

25

Ab initio study of ternary radical–molecule complexes between HCN(HNC) and HO(HS) species

Mohammad Solimannejad, Saber Ghafari

Journal:

Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 279 KB

english, 2013

26

The B–H–B bridging interaction in B-substituted oxazaborolidine–borane complexes: a theoretical study

Krzysztof Z. Łączkowski, Żaneta Czyżnikowska, Robert Zaleśny…

Journal:

Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 354 KB

english, 2013

27

Synthesis and NMR elucidation of pentacycloundecane-derived hydroxy acid peptides as potential anti-HIV-1 agents

Rajshekhar Karpoormath, Fernando Albericio, Thavendran Govender…

Journal:

Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 386 KB

english, 2013

28

Atmospheric ozonolysis study of methyl acrylate and methyl 3-methyl acrylate

Yanhui Sun, Haijie Cao, Dandan Han, Jing Li, Maoxia He

Journal:

Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 630 KB

english, 2013

29

DFT study on hydrogen-bonding adsorption mechanism of rutin onto macroporous adsorption resins functionalized with amino, hydroxyl, and carboxyl groups

He-lin Ye, Yong-feng Liu, Xing-hui Zhang, Duo-long Di

Journal:

Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 685 KB

english, 2013

30

Organic hydrogen-bonded assembly of asymmetric phenol amide molecules

Lin Li, Zhuan Fei, Xiang-gao Meng, Li-ping Cao, Qun Cai…

Journal:

Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 883 KB

english, 2013

31

Theoretical investigation of a high density cage compound 1,3,5,7,9,11-hexanitrotetradecahydro-1H-1,3,4,5,7,7b,9,11,12a,12b1,12b2,13-dodecaaza-4,8,12-(epimethanetriyl)cyclohepta[l]cyclopenta[def] phenanthrene

Li Xiaohong, Cui Hongling, Zhang Xianzhou

Journal:

Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 513 KB

english, 2013

32

Comparative theoretical studies on energetic substituted 1,2,4-triazole molecules and their corresponding ionic salts containing 1,2,4-triazole-based cations or anions

Yuling Shao, Yong Pan, Qiong Wu, Weihua Zhu, Jinshan Li, Bibo Cheng…

Journal:

Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 737 KB

english, 2013

33

Modified particle swarm optimization method for variable selection in QSAR/QSPR studies

Aboozar Khajeh, Hamid Modarress, Hamed Zeinoddini-Meymand

Journal:

Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 457 KB

english, 2013

34

Congratulations to K. VijayRaghavan, Editorial Board Member ofStructural Chemistry

Hargittai, Istvan

Journal:

Structural Chemistry

Year:

2013

File:

PDF, 139 KB

2013

35

Quantitative analysis of intermolecular forces for hydrogen bond driven self-assembly of resorcinol and bis(pyridine) substituted ethylene cocrystals, before and after [2

Zamani, Mehdi, Dabbagh, Hossein A.

Journal:

Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 751 KB

english, 2013

36

Los Alamos and “Los Arzamas”

Hargittai, Istvan

Journal:

Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 713 KB

english, 2013

37

Eric Scerri: A Tale of 7 Elements

Hargittai, Istvan

Journal:

Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 125 KB

english, 2013

38

Conformational space of tetrakis(2-naphthalenyl)ethene: a naphthologous AIE luminogen

Pogodin, Sergey, Assadi, Naela, Agranat, Israel

Journal:

Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 574 KB

english, 2013

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