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Volume 22; Issue 2
Main
Structural Chemistry
Volume 22; Issue 2
Structural Chemistry
Volume 22; Issue 2
1
Complete basis set, hybrid-DFT study, and NBO interpretations of the conformational behavior of 1,2-dihaloethanes
Davood Nori-Shargh
,
James E. Boggs
Journal:
Structural Chemistry
Year:
2011
Language:
english
File:
PDF, 374 KB
Your tags:
english, 2011
2
A life in structural chemistry: Hommage
István Hargittai
,
Anna L. Vilkova
Journal:
Structural Chemistry
Year:
2011
Language:
english
File:
PDF, 475 KB
Your tags:
english, 2011
3
Aleksandr Mikhailovich Butlerov and chemical structure: Tribute to a scientist and to a 150-year old concept
István Hargittai
Journal:
Structural Chemistry
Year:
2011
Language:
english
File:
PDF, 641 KB
Your tags:
english, 2011
4
Tautomeric and conformational properties of dibenzoylmethane, C6H5–C(O)–CH2–C(O)–C6H5: gas-phase electron diffraction and quantum chemical study
Natalya V. Belova
,
Heinz Oberhammer
,
Georgiy V. Girichev
Journal:
Structural Chemistry
Year:
2011
Language:
english
File:
PDF, 390 KB
Your tags:
english, 2011
5
A personal reminiscence about theories used and misused in structural chemistry
Lawrence S. Bartell
Journal:
Structural Chemistry
Year:
2011
Language:
english
File:
PDF, 221 KB
Your tags:
english, 2011
6
Gas-phase structures of 1-adamantylphosphines, PHn(1-Ad)3−n(n
Derek A. Wann
,
Andrew R. Turner
,
Jens R. Goerlich
,
Lorna J. Kettle
,
Reinhard Schmutzler
,
David W. H. Rankin
Journal:
Structural Chemistry
Year:
2011
Language:
english
File:
PDF, 241 KB
Your tags:
english, 2011
7
Unusual asymmetry in halobenzenes, a solid-state, gas-phase and theoretical investigation
Sarah L. Masters
,
Iain D. Mackie
,
Derek A. Wann
,
Heather E. Robertson
,
David W. H. Rankin
,
Simon Parsons
Journal:
Structural Chemistry
Year:
2011
Language:
english
File:
PDF, 221 KB
Your tags:
english, 2011
8
Vibronic spectra, ab initio calculations, and structures of conformationally non-rigid molecules of oxalyl halides in the ground and lowest excited electronic states. Part V: Oxalyl chloridefluoride (COCl–COF)
I. A. Godunov
,
S. I. Bokarev
,
D. V. Maslov
Journal:
Structural Chemistry
Year:
2011
Language:
english
File:
PDF, 609 KB
Your tags:
english, 2011
9
Conformational analysis of vitamin K1model molecule: a theoretical study
Alexander V. Zakharov
,
Natalja Vogt
Journal:
Structural Chemistry
Year:
2011
Language:
english
File:
PDF, 367 KB
Your tags:
english, 2011
10
Use of imaging plates (IPs) in the gas-phase electron diffraction (GED) experiments on the EG-100 M apparatus. The tetrachloromethane molecule as a test object
Natalja Vogt
,
Rainer Rudert
,
Anatolii N. Rykov
,
Nikolai M. Karasev
,
Igor F. Shishkov
,
Jürgen Vogt
Journal:
Structural Chemistry
Year:
2011
Language:
english
File:
PDF, 287 KB
Your tags:
english, 2011
11
The molecular structure of PrI3and GdI3as determined by synchronous gas-phase electron diffraction and mass spectrometric experiment assisted by quantum chemical calculations
Nina I. Giricheva
,
Sergey A. Shlykov
,
Elena A. Lapykina
,
Heinz Oberhammer
,
Georgiy V. Girichev
Journal:
Structural Chemistry
Year:
2011
Language:
english
File:
PDF, 410 KB
Your tags:
english, 2011
12
Solvent mediated reaction of 1-methyl-1H-tetrazoline-5-thione with iodine
Nataliya V. Aleshina
,
Margarita S. Chernov’yants
,
Igor N. Shcherbakov
,
Zoya A. Starikova
Journal:
Structural Chemistry
Year:
2011
Language:
english
File:
PDF, 271 KB
Your tags:
english, 2011
13
Iron dihalides: structures and thermodynamic properties from computation and an electron diffraction study of iron diiodide
Zoltán Varga
,
Mária Kolonits
,
Magdolna Hargittai
Journal:
Structural Chemistry
Year:
2011
Language:
english
File:
PDF, 433 KB
Your tags:
english, 2011
14
Equilibrium structure and spectroscopic constants of maleic anhydride
Natalja Vogt
,
Jean Demaison
,
Heinz Dieter Rudolph
Journal:
Structural Chemistry
Year:
2011
Language:
english
File:
PDF, 237 KB
Your tags:
english, 2011
15
Accurate molecular structure of copper phthalocyanine (CuN8C32H16) determined by gas-phase electron diffraction and quantum-chemical calculations
N. V. Tverdova
,
G. V. Girichev
,
N. I. Giricheva
,
O. A. Pimenov
Journal:
Structural Chemistry
Year:
2011
Language:
english
File:
PDF, 349 KB
Your tags:
english, 2011
16
Molecular structure and conformation of triphenylsilane from gas-phase electron diffraction and theoretical calculations, and structural variations in H4−nSiPhnmolecules (n
Anna Rita Campanelli
,
Aldo Domenicano
,
Fabio Ramondo
,
István Hargittai
Journal:
Structural Chemistry
Year:
2011
Language:
english
File:
PDF, 374 KB
Your tags:
english, 2011
17
Gas-phase structure and conformational properties of copper (I) pivalate dimer (CuC5H9O2)2
A. S. Alikhanyan
,
K. V. Didenko
,
G. V. Girichev
,
N. I. Giricheva
,
O. A. Pimenov
,
S. A. Shlykov
,
G. A. Zhurko
Journal:
Structural Chemistry
Year:
2011
Language:
english
File:
PDF, 475 KB
Your tags:
english, 2011
18
DFT theoretical studies of anions of aniline and its several derivatives
N. I. Vakula
,
G. M. Kuramshina
,
S. F. Makhmutova
,
Yu. A. Pentin
Journal:
Structural Chemistry
Year:
2011
Language:
english
File:
PDF, 734 KB
Your tags:
english, 2011
19
Conformational properties ofortho-nitrobenzenesulfonamide in gas and crystalline phases. Intra- and intermolecular hydrogen bond
Nina I. Giricheva
,
Georgiy V. Girichev
,
Yulia S. Medvedeva
,
Sergey N. Ivanov
,
Anna V. Bardina
,
Vyacheslav M. Petrov
Journal:
Structural Chemistry
Year:
2011
Language:
english
File:
PDF, 525 KB
Your tags:
english, 2011
20
Paradigms and paradoxes: the weak bonds in elemental halogens, peroxides, disulfides, interhalogens, noble gas monohalide cations, and isoelectronic species
Henry A. Bent
,
Joel F. Liebman
Journal:
Structural Chemistry
Year:
2011
Language:
english
File:
PDF, 170 KB
Your tags:
english, 2011
21
Conformational analysis of 2-substituted nitroethenes
Yana A. Vereshchagina
,
Denis V. Chachkov
,
Eleonora A. Ishmaeva
,
Valentina M. Berestovitskaya
Journal:
Structural Chemistry
Year:
2011
Language:
english
File:
PDF, 397 KB
Your tags:
english, 2011
22
The molecular structure of tris-2,2,6,6-tetramethyl-heptane-3,5-dione aluminium: gas-phase electron diffraction, quantum chemical calculations and X-ray crystallography
N. V. Belova
,
B. Dalhus
,
G. V. Girichev
,
N. I. Giricheva
,
A. Haaland
,
N. P. Kuzmima
,
T. A. Zhukova
Journal:
Structural Chemistry
Year:
2011
Language:
english
File:
PDF, 385 KB
Your tags:
english, 2011
23
A molecule on the surface or inside a spherical nanoparticle: the computation of the interaction energy in terms of the dielectric continuum model
M. V. Basilevsky
,
E. A. Nikitina
,
F. V. Grigoriev
,
A. A. Bagaturyants
,
M. V. Alfimov
Journal:
Structural Chemistry
Year:
2011
Language:
english
File:
PDF, 331 KB
Your tags:
english, 2011
24
Accurate theoretical IR and Raman spectrum of Al2O2and Al2O3molecules
Alexander V. Mitin
Journal:
Structural Chemistry
Year:
2011
Language:
english
File:
PDF, 226 KB
Your tags:
english, 2011
25
Molecular structure ofN,N′-o-phenylene-bis(salicylideneaminato)copper(II) studied by gas-phase electron diffraction and quantum-chemical calculations
Natalya V. Tverdova
,
Elena D. Pelevina
,
Nina I. Giricheva
,
Georgiy V. Girichev
,
Natalia P. Kuzmina
,
Oxana V. Kotova
Journal:
Structural Chemistry
Year:
2011
Language:
english
File:
PDF, 401 KB
Your tags:
english, 2011
26
Molecular structure, conformation, and large amplitude motion of barbituric acid as studied by gas-phase electron diffraction and quantum chemical calculations
Olga V. Dorofeeva
,
Ilya I. Marochkin
,
Nikolai M. Karasev
,
Igor F. Shishkov
,
Heinz Oberhammer
Journal:
Structural Chemistry
Year:
2011
Language:
english
File:
PDF, 249 KB
Your tags:
english, 2011
27
Comparative X-ray structural study of laterally mono-ethyl substituted 5,11,17,23-tetra-tert-butyl-25,26,27,28-tetra-methoxycalix[4]arene and its non-substituted parent compound including guest free and solvated forms. Chemical straightening of guest channels
Conrad Fischer
,
Guisheng Lin
,
Petra Bombicz
,
Wilhelm Seichter
,
Edwin Weber
Journal:
Structural Chemistry
Year:
2011
Language:
english
File:
PDF, 609 KB
Your tags:
english, 2011
28
Structural variations and electronic substituent effects in phenylcubane derivatives: a quantum chemical study
Anna Rita Campanelli
,
Aldo Domenicano
,
Fabio Ramondo
Journal:
Structural Chemistry
Year:
2011
Language:
english
File:
PDF, 272 KB
Your tags:
english, 2011
29
Erling Norrby, Nobel Prizes and Life Sciences
Istvan Hargittai
Journal:
Structural Chemistry
Year:
2011
Language:
english
File:
PDF, 378 KB
Your tags:
english, 2011
30
The “Vilkov” issue
Journal:
Structural Chemistry
Year:
2011
Language:
english
File:
PDF, 57 KB
Your tags:
english, 2011
31
Investigation of the radioprotective properties of some tea polyphenols
D. S. Ershov
,
S. V. Paston
,
L. A. Kartsova
,
A. V. Alekseeva
,
O. V. Ganzha
,
N. A. Kasyanenko
Journal:
Structural Chemistry
Year:
2011
Language:
english
File:
PDF, 638 KB
Your tags:
english, 2011
32
Collective effects in diffusional motion of water molecules: computer simulation
George Malenkov
,
Yuri Naberukhin
,
Vladimir Voloshin
Journal:
Structural Chemistry
Year:
2011
Language:
english
File:
PDF, 410 KB
Your tags:
english, 2011
33
Influence of temperature on hydration-shell microstructure of chlorine and bromine anions in aqueous solution
Alexey Donets
,
Vladimir Chizhik
Journal:
Structural Chemistry
Year:
2011
Language:
english
File:
PDF, 247 KB
Your tags:
english, 2011
34
Hydrogen bond lifetime in supercritical water
V. E. Petrenko
,
M. L. Antipova
Journal:
Structural Chemistry
Year:
2011
Language:
english
File:
PDF, 224 KB
Your tags:
english, 2011
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