| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Accurate modeling of cation–π interactions in enzymes: a case study on the CDPCho:phosphocholine cytidylyltransferase complex
|
Lábas, Anikó
|
|
2015
|
26 |
5-6 |
p. 1411-1423
|
artikel
|
| 2 |
A personal history of structural chemistry
|
Bartell, Lawrence
|
|
2014
|
26 |
5-6 |
p. 1697-1701
|
artikel
|
| 3 |
Application of quantum chemistry for the interpretation of vibrational spectra
|
Billes, Ferenc
|
|
2015
|
26 |
5-6 |
p. 1703-1714
|
artikel
|
| 4 |
Benchmark study of molecules with large-amplitude ring-twisting motion: accurate equilibrium structure of succinic anhydride from gas electron diffraction data and coupled-cluster computations
|
Vogt, Natalja
|
|
2015
|
26 |
5-6 |
p. 1481-1488
|
artikel
|
| 5 |
Combined gas electron diffraction/mass spectrometric study of beryllium diiodide assisted by quantum chemical calculations: structure and thermodynamics of beryllium dihalides
|
Shlykov, Sergey A.
|
|
2015
|
26 |
5-6 |
p. 1451-1458
|
artikel
|
| 6 |
Combined gas-phase electron diffraction/mass spectrometry and DFT study of the molecular structure of zinc(II) etioporphyrin-II
|
Tverdova, Natalya V.
|
|
2015
|
26 |
5-6 |
p. 1521-1530
|
artikel
|
| 7 |
Computational studies of π–π interactions in dimers of heterosubstituted sumanenes
|
Karunarathna, A. A. S.
|
|
2015
|
26 |
5-6 |
p. 1689-1695
|
artikel
|
| 8 |
Computational study of nitroguanidine (NQ) tautomeric properties in aqueous solution
|
Golius, Anastasiia
|
|
2015
|
26 |
5-6 |
p. 1273-1280
|
artikel
|
| 9 |
Computational study of NTO (5-nitro-2,4-dihydro-3H-1,2,4-triazol-3-one) tautomeric properties in aqueous solution
|
Golius, Anastasiia
|
|
2015
|
26 |
5-6 |
p. 1281-1286
|
artikel
|
| 10 |
Conformations of methylbenzenesulfonate and its substituted derivatives: gas-phase electron diffraction versus vibrational spectroscopy
|
Giricheva, Nina I.
|
|
2015
|
26 |
5-6 |
p. 1543-1553
|
artikel
|
| 11 |
Design of a structural database for homoleptic transition metal complexes
|
Fernández-Valparís, Javier
|
|
2015
|
26 |
5-6 |
p. 1715-1723
|
artikel
|
| 12 |
Determination of the molecular structure of gaseous proline by electron diffraction, supported by microwave and quantum chemical data
|
Belyakov, Alexander V.
|
|
2015
|
26 |
5-6 |
p. 1489-1500
|
artikel
|
| 13 |
Edge modification of PAHs: the effect of embedded heterocycles on the aromaticity pattern
|
Szűcs, Rózsa
|
|
2015
|
26 |
5-6 |
p. 1351-1357
|
artikel
|
| 14 |
Effect of vibronic interactions on molecular structures determined by gas electron diffraction
|
Ischenko, Anatoly A.
|
|
2015
|
26 |
5-6 |
p. 1197-1227
|
artikel
|
| 15 |
Encapsulation of monomers, homodimers and heterodimers of amides and carboxylic acids in three non-covalent assemblies
|
Tzeli, Demeter
|
|
2015
|
26 |
5-6 |
p. 1585-1601
|
artikel
|
| 16 |
En route formation of ion pairs at the ionic liquid–vacuum interface
|
Malberg, Friedrich
|
|
2015
|
26 |
5-6 |
p. 1343-1349
|
artikel
|
| 17 |
Enthalpy of formation of guanidine and its amino and nitro derivatives
|
Dorofeeva, Olga V.
|
|
2015
|
26 |
5-6 |
p. 1629-1640
|
artikel
|
| 18 |
Equilibrium molecular structure of benzamide from gas-phase electron diffraction and theoretical calculations
|
Kolesnikova, Inna N.
|
|
2015
|
26 |
5-6 |
p. 1473-1479
|
artikel
|
| 19 |
Exploring the role of the phage-specific insert of bacteriophage Φ11 dUTPase
|
Nyíri, Kinga
|
|
2015
|
26 |
5-6 |
p. 1425-1432
|
artikel
|
| 20 |
For the M. Hargittai issue
|
Hoffmann, Roald
|
|
2015
|
26 |
5-6 |
p. 1165
|
artikel
|
| 21 |
Gas-phase electron diffraction from laser-aligned molecules
|
Yang, Jie
|
|
2015
|
26 |
5-6 |
p. 1513-1520
|
artikel
|
| 22 |
Gas-phase structure and conformations of copper(II) 2,9,16,23-tetra-tert-butyl phthalocyanine
|
Pimenov, Oleg A.
|
|
2015
|
26 |
5-6 |
p. 1531-1541
|
artikel
|
| 23 |
How membrane proteins work giving autonomous traverse pathways?
|
Kardos, Julianna
|
|
2015
|
26 |
5-6 |
p. 1405-1410
|
artikel
|
| 24 |
Interplay of thermochemistry and Structural Chemistry, the journal (Volume 25, 2014, Issues 5–6) and the discipline
|
Ponikvar-Svet, Maja
|
|
2015
|
26 |
5-6 |
p. 1729-1739
|
artikel
|
| 25 |
Introduction: Magdolna Hargittai—Scientist
|
Kovács, Attila
|
|
2015
|
26 |
5-6 |
p. 1163
|
artikel
|
| 26 |
IR spectra of nitrobenzene and nitrobenzene-15N in the gas phase, ab initio analysis of vibrational spectra and reliable force fields of nitrobenzene and 1,3,5-trinitrobenzene. Investigation of equilibrium geometry and internal rotation in these simplest aromatic nitro compounds with one and three rotors by means of electron diffraction, spectroscopic, and quantum chemistry data
|
Khaikin, Leonid S.
|
|
2015
|
26 |
5-6 |
p. 1651-1687
|
artikel
|
| 27 |
‘Lanthanide contraction’ in [Ln(BTP)3](CF3SO3)3 complexes
|
Kovács, Attila
|
|
2015
|
26 |
5-6 |
p. 1287-1295
|
artikel
|
| 28 |
Magdolna Hargittai’s inorganic structures
|
Hargittai, Istvan
|
|
2015
|
26 |
5-6 |
p. 1167-1178
|
artikel
|
| 29 |
Molecular structure and conformational properties of N-cyclohexylpiperidine as studied by gas-phase electron diffraction, mass spectrometry, IR spectroscopy and quantum chemical calculations
|
Shlykov, Sergey A.
|
|
2015
|
26 |
5-6 |
p. 1501-1512
|
artikel
|
| 30 |
Molecular structure and internal rotation of CH2Cl group of chloropropanone oxime: gas electron diffraction, microwave spectroscopy, and quantum chemical calculation studies
|
Kuze, Nobuhiko
|
|
2015
|
26 |
5-6 |
p. 1241-1257
|
artikel
|
| 31 |
New features in the MOGADOC database
|
Vogt, Jürgen
|
|
2015
|
26 |
5-6 |
p. 1725-1727
|
artikel
|
| 32 |
Ni(II) complex with sarcosine derived from in situ generated ligand: structural, spectroscopic, and DFT studies
|
Fałtynowicz, Hanna
|
|
2015
|
26 |
5-6 |
p. 1555-1563
|
artikel
|
| 33 |
Opposite effect of Ca2+/Mg2+ ions on the aggregation of native and precursor-derived Aβ42
|
Bogár, Ferenc
|
|
2015
|
26 |
5-6 |
p. 1389-1403
|
artikel
|
| 34 |
Regioselectivity of the interaction of temozolomide with borane and boron trifluoride
|
Kasende, Okuma Emile
|
|
2015
|
26 |
5-6 |
p. 1359-1365
|
artikel
|
| 35 |
Selenium- and tellurium-bridged heteromerous overcrowded bistricyclic aromatic enes with central six-member and seven-member rings
|
Levy, Amalia
|
|
2015
|
26 |
5-6 |
p. 1565-1584
|
artikel
|
| 36 |
Singlet–triplet competition in the low-lying energy states of C4O4−nSn (n = 1–3) molecules
|
Varga, Zoltan
|
|
2015
|
26 |
5-6 |
p. 1229-1240
|
artikel
|
| 37 |
Structural characterization of a complex derived from lead(II) perchlorate and acridono-18-crown-6 ether
|
Németh, Tamás
|
|
2015
|
26 |
5-6 |
p. 1467-1471
|
artikel
|
| 38 |
Structural characterization of dinuclear gold(I) diphosphine complexes with anion-triggered luminescence
|
Baranyai, Péter
|
|
2015
|
26 |
5-6 |
p. 1377-1387
|
artikel
|
| 39 |
Structure and energetical properties of metal pivalate chelates M(piv)3 (M = Al, Ga, In, Tl) by DFT calculations
|
Pimenov, O. A.
|
|
2015
|
26 |
5-6 |
p. 1443-1450
|
artikel
|
| 40 |
Structure, bonding, relativistic effects, and dispersion in the group 12 dihalide (MX2)3 clusters, with lessons from the extended solids
|
Donald, Kelling J.
|
|
2015
|
26 |
5-6 |
p. 1179-1195
|
artikel
|
| 41 |
Structure, spectroscopy, and thermal decomposition of 5-chloro-1,2,3,4-thiatriazole: a He I photoelectron, infrared, and quantum chemical study
|
Pasinszki, Tibor
|
|
2015
|
26 |
5-6 |
p. 1603-1610
|
artikel
|
| 42 |
Substituent effect on the properties of pyridine-N-oxides
|
Belova, Natalya V.
|
|
2015
|
26 |
5-6 |
p. 1459-1465
|
artikel
|
| 43 |
Symmetry-controlled rearrangements in Piedfort Units (PU) of 2,4,6-triaryloxy-1,3,5-triazines
|
Bombicz, Petra
|
|
2015
|
26 |
5-6 |
p. 1611-1619
|
artikel
|
| 44 |
Synthesis and structure of stable water-soluble phosphonium alkanoate zwitterions derived from 1,3,5-triaza-7-phosphaadamantane
|
Udvardy, Antal
|
|
2015
|
26 |
5-6 |
p. 1323-1334
|
artikel
|
| 45 |
Synthesis and structure of tritylium salts
|
Hinz, Alexander
|
|
2015
|
26 |
5-6 |
p. 1641-1650
|
artikel
|
| 46 |
The kernel energy method (KEM) delivers fast and accurate QTAIM electrostatic charge for atoms in large molecules
|
Huang, Lulu
|
|
2015
|
26 |
5-6 |
p. 1433-1442
|
artikel
|
| 47 |
Theoretical investigation of NpC, NpC2 and NpC4 molecules
|
Pogány, Peter
|
|
2015
|
26 |
5-6 |
p. 1309-1322
|
artikel
|
| 48 |
Transmission of electronic substituent effects along polyenic chains: a quantum chemical study based on structural variation and π-charge distribution
|
Campanelli, Anna Rita
|
|
2015
|
26 |
5-6 |
p. 1259-1271
|
artikel
|
| 49 |
Typical surface segments of diamond-core carbon nanoparticles
|
Novakovskaya, Yulia V.
|
|
2015
|
26 |
5-6 |
p. 1297-1307
|
artikel
|
| 50 |
Unified picture for the conformation and stabilization of the O-glycosidic linkage in glycopeptide model structures
|
Mezei, Pál D.
|
|
2015
|
26 |
5-6 |
p. 1367-1376
|
artikel
|
| 51 |
Which halogen is the strongest oxidant? A study with systematics and surprises
|
Ponikvar-Svet, Maja
|
|
2015
|
26 |
5-6 |
p. 1621-1628
|
artikel
|
| 52 |
Why do N-heterocyclic carbenes and silylenes activate white phosphorus differently?
|
Szilvási, Tibor
|
|
2015
|
26 |
5-6 |
p. 1335-1342
|
artikel
|
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