Volume 22, Issue 2 | Structural Chemistry

Structural Chemistry

Computational and Experimental Studies of Chemical and Biological Systems

Publishing model:: Hybrid

Submit your manuscript

Search all Structural Chemistry articles

Volume 22, Issue 2

April 2011

Special issue on Lev V. Vilkov Issue

Issue Editors:

Olga V. Dorofeeva,
Igor F. Shishkov

34 articles in this issue

The “Vilkov” issue

INTRODUCTION 04 March 2011 Pages: 235 - 235
A life in structural chemistry: Hommage à Lev V. Vilkov
István Hargittai
Anna L. Vilkova
Editorial 17 November 2010 Pages: 237 - 241
Aleksandr Mikhailovich Butlerov and chemical structure: Tribute to a scientist and to a 150-year old concept
István Hargittai
Editorial 18 November 2010 Pages: 243 - 246
A personal reminiscence about theories used and misused in structural chemistry
Lawrence S. Bartell
Review Article 24 November 2010 Pages: 247 - 251
Complete basis set, hybrid-DFT study, and NBO interpretations of the conformational behavior of 1,2-dihaloethanes
Davood Nori-Shargh
James E. Boggs
Original Research 17 November 2010 Pages: 253 - 262
Gas-phase structures of 1-adamantylphosphines, PH_n(1-Ad)_3−n (n = 1–3)
Derek A. Wann
Andrew R. Turner
David W. H. Rankin
Original Research 25 November 2010 Pages: 263 - 267
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
Original Research 26 November 2010 Pages: 269 - 277
Unusual asymmetry in halobenzenes, a solid-state, gas-phase and theoretical investigation
Sarah L. Masters
Iain D. Mackie
Simon Parsons
Original Research 15 December 2010 Pages: 279 - 285
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
Jürgen Vogt
Original Research 17 December 2010 Pages: 287 - 291
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
Original Research 17 December 2010 Pages: 293 - 304
Conformational analysis of vitamin K₁ model molecule: a theoretical study
Alexander V. Zakharov
Natalja Vogt
Original Research 18 December 2010 Pages: 305 - 311
Solvent mediated reaction of 1-methyl-1H-tetrazoline-5-thione with iodine
Nataliya V. Aleshina
Margarita S. Chernov’yants
Zoya A. Starikova
Original Research 24 December 2010 Pages: 313 - 317
Accurate molecular structure of copper phthalocyanine (CuN₈C₃₂H₁₆) determined by gas-phase electron diffraction and quantum-chemical calculations
N. V. Tverdova
G. V. Girichev
O. A. Pimenov
Original Research 30 December 2010 Pages: 319 - 325
Iron dihalides: structures and thermodynamic properties from computation and an electron diffraction study of iron diiodide
Zoltán Varga
Mária Kolonits
Magdolna Hargittai
Original Research 30 December 2010 Pages: 327 - 336
Equilibrium structure and spectroscopic constants of maleic anhydride
Natalja Vogt
Jean Demaison
Heinz Dieter Rudolph
Original Research 25 December 2010 Pages: 337 - 343
DFT theoretical studies of anions of aniline and its several derivatives
N. I. Vakula
G. M. Kuramshina
Yu. A. Pentin
Original Research 31 December 2010 Pages: 345 - 356
Conformational analysis of 2-substituted nitroethenes
Yana A. Vereshchagina
Denis V. Chachkov
Valentina M. Berestovitskaya
Original Research 31 December 2010 Pages: 357 - 360
Molecular structure and conformation of triphenylsilane from gas-phase electron diffraction and theoretical calculations, and structural variations in H_4−nSiPh_n molecules (n = 1–4)
Anna Rita Campanelli
Aldo Domenicano
István Hargittai
Original Research 01 January 2011 Pages: 361 - 369
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
Original Research 01 January 2011 Pages: 371 - 372
Part of 1 collection:

Column: Paradigms and Paradoxes
Conformational properties of ortho-nitrobenzenesulfonamide in gas and crystalline phases. Intra- and intermolecular hydrogen bond
Nina I. Giricheva
Georgiy V. Girichev
Vyacheslav M. Petrov
Original Research 05 January 2011 Pages: 373 - 383
The molecular structure of PrI₃ and GdI₃ as determined by synchronous gas-phase electron diffraction and mass spectrometric experiment assisted by quantum chemical calculations
Nina I. Giricheva
Sergey A. Shlykov
Georgiy V. Girichev
Original Research 11 January 2011 Pages: 385 - 392
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
T. A. Zhukova
Original Research 15 January 2011 Pages: 393 - 399
Gas-phase structure and conformational properties of copper (I) pivalate dimer (CuC₅H₉O₂)₂
A. S. Alikhanyan
K. V. Didenko
G. A. Zhurko
Original Research 23 January 2011 Pages: 401 - 409
Accurate theoretical IR and Raman spectrum of Al₂O₂ and Al₂O₃ molecules
Alexander V. Mitin
Original Research 23 January 2011 Pages: 411 - 418
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
Heinz Oberhammer
Original Research 29 January 2011 Pages: 419 - 425
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
M. V. Alfimov
Original Research 29 January 2011 Pages: 427 - 432
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
Edwin Weber
Original Research 08 February 2011 Pages: 433 - 439
Molecular structure of N,N′-o-phenylene-bis(salicylideneaminato)copper(II) studied by gas-phase electron diffraction and quantum-chemical calculations
Natalya V. Tverdova
Elena D. Pelevina
Oxana V. Kotova
Original Research 13 February 2011 Pages: 441 - 448
Structural variations and electronic substituent effects in phenylcubane derivatives: a quantum chemical study
Anna Rita Campanelli
Aldo Domenicano
Fabio Ramondo
Original Research 19 February 2011 Pages: 449 - 457
Collective effects in diffusional motion of water molecules: computer simulation
George Malenkov
Yuri Naberukhin
Vladimir Voloshin
Original Research 01 March 2011 Pages: 459 - 463
Influence of temperature on hydration-shell microstructure of chlorine and bromine anions in aqueous solution
Alexey Donets
Vladimir Chizhik
Original Research 01 March 2011 Pages: 465 - 470
Hydrogen bond lifetime in supercritical water
V. E. Petrenko
M. L. Antipova
Original Research 01 March 2011 Pages: 471 - 474
Investigation of the radioprotective properties of some tea polyphenols
D. S. Ershov
S. V. Paston
N. A. Kasyanenko
Original Research 01 March 2011 Pages: 475 - 482
Erling Norrby, Nobel Prizes and Life Sciences
Istvan Hargittai
BOOK REVIEW 13 February 2011 Pages: 483 - 487