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Volume 23; Issue 6
Main
Structural Chemistry
Volume 23; Issue 6
Structural Chemistry
Volume 23; Issue 6
1
Thermochemical properties of some vinyl chloride-induced DNA lesions: detailed view from NBO & AIM analysis
Aliakbar Tehrani, Zahra
,
Torabifard, Hedieh
,
Fattahi, Alireza
Journal:
Structural Chemistry
Year:
2012
Language:
english
File:
PDF, 700 KB
Your tags:
english, 2012
2
Co-adsorption of CO molecules at the open ends of MgO nanotubes
Beheshtian, Javad
,
Baei, Mohammad T.
,
Bagheri, Zargham
,
Peyghan, Ali Ahmadi
Journal:
Structural Chemistry
Year:
2012
Language:
english
File:
PDF, 467 KB
Your tags:
english, 2012
3
Thermodynamic behavior and stability constants of lanthanides–Schiff base complexes in mixed aqueous solvents
Mahmoud, Faten Z.
,
Eid, Mohamed F. M.
Journal:
Structural Chemistry
Year:
2012
Language:
english
File:
PDF, 450 KB
Your tags:
english, 2012
4
Host–guest interactions between xanthones and water: the role of O–H···O, C–H···O, and π···π contacts in the channel- and cage-type frameworks
Corrêa, Rodrigo S.
,
dos Santos, Marcelo H.
,
Nagem, Tanus J.
,
Ellena, Javier
Journal:
Structural Chemistry
Year:
2012
Language:
english
File:
PDF, 616 KB
Your tags:
english, 2012
5
Structural topology and dimensional reduction in uranyl oxysalts: eight novel phases in themethylamine–(UO2)(NO3)2–H2SeO4–H2O system
Kovrugin, Vadim M.
,
Gurzhiy, Vladislav V.
,
Krivovichev, Sergey V.
Journal:
Structural Chemistry
Year:
2012
Language:
english
File:
PDF, 1.78 MB
Your tags:
english, 2012
6
QSAR models for ACE-inhibitor activity of tri-peptides based on representation of the molecular structure by graph of atomic orbitals and SMILES
Toropova, A. P.
,
Toropov, A. A.
,
Rasulev, B. F.
,
Benfenati, E.
,
Gini, G.
,
Leszczynska, D.
,
Leszczynski, J.
Journal:
Structural Chemistry
Year:
2012
Language:
english
File:
PDF, 322 KB
Your tags:
english, 2012
7
Geometries and stabilities of transition metals doped perfect and Stone–Wales defective armchair (5,5) boron nitride nanotubes
Tontapha, Sarawut
,
Morakot, Nongnit
,
Ruangpornvisuti, Vithaya
,
Wanno, Banchob
Journal:
Structural Chemistry
Year:
2012
Language:
english
File:
PDF, 1.86 MB
Your tags:
english, 2012
8
Conformational polymorphism in bicalutamide: a quantum chemical study
Dhaked, Devendra K.
,
Jain, Vaibhav
,
Kasetti, Yoganjaneyulu
,
Bharatam, Prasad V.
Journal:
Structural Chemistry
Year:
2012
Language:
english
File:
PDF, 670 KB
Your tags:
english, 2012
9
Co-crystal/salt crystal structure disorder of trichloroacetic acid–N-methylurea complex with double system of homo- and heteronuclear O–H···O/N–H···O hydrogen bonds: X-ray investigation, ab initio and DFT studies
Rybarczyk-Pirek, Agnieszka J.
Journal:
Structural Chemistry
Year:
2012
Language:
english
File:
PDF, 437 KB
Your tags:
english, 2012
10
Can anion interaction accelerate transformation of cytosine tautomers? Detailed view form QTAIM analysis
Jebeli Javan, Marjan
,
Tehrani, Zahra Aliakbar
,
Fattahi, Alireza
,
Jamshidi, Zahra
Journal:
Structural Chemistry
Year:
2012
Language:
english
File:
PDF, 645 KB
Your tags:
english, 2012
11
BN-Substituted fullerenes C60−2x(BN)x: a computational11B and15N NMR study
Anafcheh, Maryam
,
Ghafouri, Reza
Journal:
Structural Chemistry
Year:
2012
Language:
english
File:
PDF, 707 KB
Your tags:
english, 2012
12
QSAR modeling of endpoints for peptides which is based on representation of the molecular structure by a sequence of amino acids
Toropov, Andrey A.
,
Toropova, Alla P.
,
Raska, Ivan
,
Benfenati, Emilio
,
Gini, Giuseppina
Journal:
Structural Chemistry
Year:
2012
Language:
english
File:
PDF, 435 KB
Your tags:
english, 2012
13
Ulf Lagerkvist and his Nobel histories
Istvan Hargittai
Journal:
Structural Chemistry
Year:
2012
Language:
english
File:
PDF, 533 KB
Your tags:
english, 2012
14
Structure and theoretical approaches to a chalcone derivative
Guilherme R. de Oliveira, Heibbe Cristhian B. de Oliveira…
Journal:
Structural Chemistry
Year:
2012
Language:
english
File:
PDF, 530 KB
Your tags:
english, 2012
15
Modeling the electronic structure of formamide: an acid/base amphoteric solvent
Halina Szatyłowicz, Tadeusz M. Krygowski, Marcin Palusiak
Journal:
Structural Chemistry
Year:
2012
Language:
english
File:
PDF, 559 KB
Your tags:
english, 2012
16
Molecular level investigation of the dynamic structure model in molten and solid alkali glasses
István P. Bakk, István Deme, Dénes Szieberth, László Nyulászi
Journal:
Structural Chemistry
Year:
2012
Language:
english
File:
PDF, 503 KB
Your tags:
english, 2012
17
Electronic properties of thienylene vinylene oligomers: synthesis and theoretical study
G. Neculqueo, V. Rojas Fuentes, A. López, R. Matute, S. O. Vásquez…
Journal:
Structural Chemistry
Year:
2012
Language:
english
File:
PDF, 504 KB
Your tags:
english, 2012
18
Synthesis, X-ray structural analysis, and cytotoxic activity of some new androstaned-homo lactone derivatives
Evgenija A. Djurendić, Marina P. Savić, Olivera R. Klisurić…
Journal:
Structural Chemistry
Year:
2012
Language:
english
File:
PDF, 488 KB
Your tags:
english, 2012
19
Ab initio study of mechanism of forming bis-heterocyclic compound with Si and Ge between silylene germylene (H2Si=Ge:) and formaldehyde
Xiuhui Lu, Zhenxia Lian, Yongqing Li, Zhina Wang
Journal:
Structural Chemistry
Year:
2012
Language:
english
File:
PDF, 693 KB
Your tags:
english, 2012
20
Theoretical study on the structures and stabilities of silacyclopropylidenoids
Cem Burak Yıldız, Akın Azizoglu
Journal:
Structural Chemistry
Year:
2012
Language:
english
File:
PDF, 541 KB
Your tags:
english, 2012
21
Synthesis, NMR and X-ray structure analysis of macrolide aglycons
Irena Ćaleta, Ana Čikoš, Dinko Žiher, Ivica Đilović, Marko Dukši…
Journal:
Structural Chemistry
Year:
2012
Language:
english
File:
PDF, 854 KB
Your tags:
english, 2012
22
A topological pattern for the understanding of the stability and aromaticity ofcloso-boranes: constructingcloso-borane fromnido-boranes
Rongbao Liao, Zhimei Tian, Yumin Cui, Rongjian Sa
Journal:
Structural Chemistry
Year:
2012
Language:
english
File:
PDF, 392 KB
Your tags:
english, 2012
23
The shuffling multivariate adaptive regression splines and adaptive neuro-fuzzy inference system as tools for QSPR study bioconcentration factors of polychlorinated biphenyls (PCBs)
Kobra Zarei, Zohre Salehabadi
Journal:
Structural Chemistry
Year:
2012
Language:
english
File:
PDF, 301 KB
Your tags:
english, 2012
24
Density functional calculation on a high energy density compound having the formula C2OH4−n(NO2)n
Weijie Chi, Lulin Li, Butong Li, Haishun Wu
Journal:
Structural Chemistry
Year:
2012
Language:
english
File:
PDF, 255 KB
Your tags:
english, 2012
25
Synthesis and characterization of a three-dimensional framework built up of paradodecatungstate-B clusters and transition metals as linkers
Xiaoshu Qu, Yanyan Yang, Feifei Zhang, Xiaoyang Yu
Journal:
Structural Chemistry
Year:
2012
Language:
english
File:
PDF, 425 KB
Your tags:
english, 2012
26
Hydrogen bonding ability and acid–base behavior of formylphosphinous acid: an isostere of formohydroxamic acid
Damanjit Kaur, Ruchi Kohli
Journal:
Structural Chemistry
Year:
2012
Language:
english
File:
PDF, 631 KB
Your tags:
english, 2012
27
Theoretical investigation of reaction mechanisms of alkaline hydrolysis of 2,3,6-trinitro-β-d-glucopyranose as a monomer of nitrocellulose
Manoj K. Shukla, Frances Hill
Journal:
Structural Chemistry
Year:
2012
Language:
english
File:
PDF, 878 KB
Your tags:
english, 2012
28
Binding of anticancer drug Ru(η6-C6H5(CH2)2OH)Cl2(DAPTA) to DNA purine bases and amino acid residues: a theoretical study
Qiulan Fu, Lixin Zhou, Juan Li
Journal:
Structural Chemistry
Year:
2012
Language:
english
File:
PDF, 902 KB
Your tags:
english, 2012
29
A quantum chemical study of conformational and tautomeric preferences, intramolecular hydrogen bonding and π-electron delocalization on dinitrosomethane; in gas phase and water solution
P. Mohammadzadeh Jahani, A. Nowroozi, H. Hajiabadi, M. Hassani
Journal:
Structural Chemistry
Year:
2012
Language:
english
File:
PDF, 482 KB
Your tags:
english, 2012
30
Theoretical investigations on the structure, density, thermodynamic and performance properties of amino-, methyl-, and nitroimidazoles and their N-oxides
P. Ravi, Surya P. Tewari
Journal:
Structural Chemistry
Year:
2012
Language:
english
File:
PDF, 468 KB
Your tags:
english, 2012
31
Computational study of aza-adamantanes as multivalent bases
Hassan Sabzyan, Behnaz Saed
Journal:
Structural Chemistry
Year:
2012
Language:
english
File:
PDF, 758 KB
Your tags:
english, 2012
32
Interplay of thermochemistry andStructural Chemistry, the journal (volume 23, 2012, issues 1–3) and the discipline
Maja Ponikvar-Svet, Diana N. Zeiger, Loryn R. Keating…
Journal:
Structural Chemistry
Year:
2012
Language:
english
File:
PDF, 498 KB
Your tags:
english, 2012
33
Theoretical investigation of the noble gas molecular anions XAuNgX−and HAuNgX−(X
Liu, Guoqun
,
Zhang, Yanli
,
Bai, Xue
,
He, Fang
,
Zhang, Xianxi
,
Wang, Zhixin
,
Zhang, Wangxi
Journal:
Structural Chemistry
Year:
2012
Language:
english
File:
PDF, 1.14 MB
Your tags:
english, 2012
34
Reaction paths of BCl3
Yan Liu,Kehe Su,Qingfeng Zeng,Laifei Cheng,Litong Zhang
Journal:
Structural Chemistry
Year:
2012
Language:
english
File:
PDF, 1.13 MB
Your tags:
english, 2012
35
Quantum chemical topology investigation on structure, electronic properties and interaction of CuNgn+(n
Li Xinying,Cheng Xiuying,Cao Xue
Journal:
Structural Chemistry
Year:
2012
Language:
english
File:
PDF, 378 KB
Your tags:
english, 2012
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