| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Accurate molecular structure of copper phthalocyanine (CuN8C32H16) determined by gas-phase electron diffraction and quantum-chemical calculations
|
Tverdova, N. V.
|
|
2010
|
22 |
2 |
p. 319-325
|
artikel
|
| 2 |
Accurate theoretical IR and Raman spectrum of Al2O2 and Al2O3 molecules
|
Mitin, Alexander V.
|
|
2011
|
22 |
2 |
p. 411-418
|
artikel
|
| 3 |
Aleksandr Mikhailovich Butlerov and chemical structure: Tribute to a scientist and to a 150-year old concept
|
Hargittai, István
|
|
2010
|
22 |
2 |
p. 243-246
|
artikel
|
| 4 |
A life in structural chemistry: Hommage à Lev V. Vilkov
|
Hargittai, István
|
|
2010
|
22 |
2 |
p. 237-241
|
artikel
|
| 5 |
A molecule on the surface or inside a spherical nanoparticle: the computation of the interaction energy in terms of the dielectric continuum model
|
Basilevsky, M. V.
|
|
2011
|
22 |
2 |
p. 427-432
|
artikel
|
| 6 |
A personal reminiscence about theories used and misused in structural chemistry
|
Bartell, Lawrence S.
|
|
2010
|
22 |
2 |
p. 247-251
|
artikel
|
| 7 |
Collective effects in diffusional motion of water molecules: computer simulation
|
Malenkov, George
|
|
2011
|
22 |
2 |
p. 459-463
|
artikel
|
| 8 |
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
|
Fischer, Conrad
|
|
2011
|
22 |
2 |
p. 433-439
|
artikel
|
| 9 |
Complete basis set, hybrid-DFT study, and NBO interpretations of the conformational behavior of 1,2-dihaloethanes
|
Nori-Shargh, Davood
|
|
2010
|
22 |
2 |
p. 253-262
|
artikel
|
| 10 |
Conformational analysis of 2-substituted nitroethenes
|
Vereshchagina, Yana A.
|
|
2010
|
22 |
2 |
p. 357-360
|
artikel
|
| 11 |
Conformational analysis of vitamin K1 model molecule: a theoretical study
|
Zakharov, Alexander V.
|
|
2010
|
22 |
2 |
p. 305-311
|
artikel
|
| 12 |
Conformational properties of ortho-nitrobenzenesulfonamide in gas and crystalline phases. Intra- and intermolecular hydrogen bond
|
Giricheva, Nina I.
|
|
2010
|
22 |
2 |
p. 373-383
|
artikel
|
| 13 |
DFT theoretical studies of anions of aniline and its several derivatives
|
Vakula, N. I.
|
|
2010
|
22 |
2 |
p. 345-356
|
artikel
|
| 14 |
Equilibrium structure and spectroscopic constants of maleic anhydride
|
Vogt, Natalja
|
|
2010
|
22 |
2 |
p. 337-343
|
artikel
|
| 15 |
Erling Norrby, Nobel Prizes and Life Sciences
|
Hargittai, Istvan
|
|
2011
|
22 |
2 |
p. 483-487
|
artikel
|
| 16 |
Gas-phase structure and conformational properties of copper (I) pivalate dimer (CuC5H9O2)2
|
Alikhanyan, A. S.
|
|
2011
|
22 |
2 |
p. 401-409
|
artikel
|
| 17 |
Gas-phase structures of 1-adamantylphosphines, PHn(1-Ad)3−n (n = 1–3)
|
Wann, Derek A.
|
|
2010
|
22 |
2 |
p. 263-267
|
artikel
|
| 18 |
Hydrogen bond lifetime in supercritical water
|
Petrenko, V. E.
|
|
2011
|
22 |
2 |
p. 471-474
|
artikel
|
| 19 |
Influence of temperature on hydration-shell microstructure of chlorine and bromine anions in aqueous solution
|
Donets, Alexey
|
|
2011
|
22 |
2 |
p. 465-470
|
artikel
|
| 20 |
Investigation of the radioprotective properties of some tea polyphenols
|
Ershov, D. S.
|
|
2011
|
22 |
2 |
p. 475-482
|
artikel
|
| 21 |
Iron dihalides: structures and thermodynamic properties from computation and an electron diffraction study of iron diiodide
|
Varga, Zoltán
|
|
2010
|
22 |
2 |
p. 327-336
|
artikel
|
| 22 |
Molecular structure and conformation of triphenylsilane from gas-phase electron diffraction and theoretical calculations, and structural variations in H4−nSiPhn molecules (n = 1–4)
|
Campanelli, Anna Rita
|
|
2010
|
22 |
2 |
p. 361-369
|
artikel
|
| 23 |
Molecular structure, conformation, and large amplitude motion of barbituric acid as studied by gas-phase electron diffraction and quantum chemical calculations
|
Dorofeeva, Olga V.
|
|
2011
|
22 |
2 |
p. 419-425
|
artikel
|
| 24 |
Molecular structure of N,N′-o-phenylene-bis(salicylideneaminato)copper(II) studied by gas-phase electron diffraction and quantum-chemical calculations
|
Tverdova, Natalya V.
|
|
2011
|
22 |
2 |
p. 441-448
|
artikel
|
| 25 |
Paradigms and paradoxes: the weak bonds in elemental halogens, peroxides, disulfides, interhalogens, noble gas monohalide cations, and isoelectronic species
|
Bent, Henry A.
|
|
2010
|
22 |
2 |
p. 371-372
|
artikel
|
| 26 |
Solvent mediated reaction of 1-methyl-1H-tetrazoline-5-thione with iodine
|
Aleshina, Nataliya V.
|
|
2010
|
22 |
2 |
p. 313-317
|
artikel
|
| 27 |
Structural variations and electronic substituent effects in phenylcubane derivatives: a quantum chemical study
|
Campanelli, Anna Rita
|
|
2011
|
22 |
2 |
p. 449-457
|
artikel
|
| 28 |
Tautomeric and conformational properties of dibenzoylmethane, C6H5–C(O)–CH2–C(O)–C6H5: gas-phase electron diffraction and quantum chemical study
|
Belova, Natalya V.
|
|
2010
|
22 |
2 |
p. 269-277
|
artikel
|
| 29 |
The molecular structure of PrI3 and GdI3 as determined by synchronous gas-phase electron diffraction and mass spectrometric experiment assisted by quantum chemical calculations
|
Giricheva, Nina I.
|
|
2011
|
22 |
2 |
p. 385-392
|
artikel
|
| 30 |
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
|
Belova, N. V.
|
|
2011
|
22 |
2 |
p. 393-399
|
artikel
|
| 31 |
The “Vilkov” issue
|
|
|
2011
|
22 |
2 |
p. 235
|
artikel
|
| 32 |
Unusual asymmetry in halobenzenes, a solid-state, gas-phase and theoretical investigation
|
Masters, Sarah L.
|
|
2010
|
22 |
2 |
p. 279-285
|
artikel
|
| 33 |
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
|
Vogt, Natalja
|
|
2010
|
22 |
2 |
p. 287-291
|
artikel
|
| 34 |
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)
|
Godunov, I. A.
|
|
2010
|
22 |
2 |
p. 293-304
|
artikel
|
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