Volume 978; Issue 1-3

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Journal of Molecular Structure
Volume 978; Issue 1-3

Journal of Molecular Structure

Volume 978; Issue 1-3

1

Microwave spectroscopy and conformations of 2-methylbutane and 2,3-dimethylbutane

Geoffrey B. Churchill, James P. Dombrowski, Lu Ma, Kristin Swana, Robert K. Bohn, John A. Montgomery Jr.

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 237 KB

english, 2010

2

Study of the influence of stereoelectronic interactions on the vibrational frequencies of a series of peroxy fluorocarbooxygenated compounds

Ana G. Iriarte, Gustavo A. Argüello

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 474 KB

english, 2010

3

Molecular structures of vinylarsine, vinyldichloroarsine and arsine studied by gas-phase electron diffraction and quantum chemical calculations

Robert Noble-Eddy, Sarah L. Masters, David W.H. Rankin, Heather E. Robertson, Jean-Claude Guillemin

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 661 KB

english, 2010

4

Molecular structure of 1,3-dimethoxybenzene as studied by gas-phase electron diffraction and quantum chemical calculations

Olga V. Dorofeeva, Igor F. Shishkov, Anatoliy N. Rykov, Lev V. Vilkov, Heinz Oberhammer

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 682 KB

english, 2010

5

Reinvestigation of the gas-phase structure of tris(trifluoromethyl)arsine

Raphael J.F. Berger, Norbert W. Mitzel

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 318 KB

english, 2010

6

Rotational spectrum of 2-fluorobenzyl alcohol

Luca Evangelisti, Laura B. Favero, Walther Caminati

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 342 KB

english, 2010

7

Molecular structure of N,N′-o-phenylene-bis(salicylideneaminato)zinc(II), Zn(saloph), according to gas-phase electron diffraction and quantum-chemical calculations

G.V. Girichev, N.I. Giricheva, N.V. Tverdova, E.D. Pelevina, N.P. Kuzmina, O.V. Kotova

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 579 KB

english, 2010

8

Accurate determination of an equilibrium structure in the presence of a small coordinate: The case of dimethylsulfide

J. Demaison, L. Margulès, H.D. Rudolph

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 229 KB

english, 2010

9

Charge distribution within hypercarbon-halogenated 1-Ph-2-X-1,2-dicarba-closo-dodecaboranes, (X = F, Cl, Br, I): A dipole moment and computational study

Drahomír Hnyk, Václav Všetečka, Ladislav Drož

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 568 KB

english, 2010

10

Experimental and theoretical study for substituent effects of three 2-bromothiophene derivatives

Shengrui Tong, Chunping Ma, Maofa Ge, Weigang Wang, Dianxun Wang

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 730 KB

english, 2010

11

Further VSEPRing about molecular geometries

István Hargittai, Dóra K. Menyhárd

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 407 KB

english, 2010

12

Electron diffraction with bound electrons: The structure sensitivity of Rydberg Fingerprint Spectroscopy

Xiao Liang, Michael G. Levy, Sanghamitra Deb, Joseph D. Geiser, Richard M. Stratt, Peter M. Weber

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 951 KB

english, 2010

13

Molecular structure of (E)-benzaldehyde oxime from gas-phase electron diffraction, quantum-chemical calculations and microwave spectroscopy

Nobuhiko Kuze, Takeshi Sakaizumi, Osamu Ohashi, Yutaka Yokouchi, Kinya Iijima

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 361 KB

english, 2010

14

Conformational properties of 1-fluoro-1-methyl-silacyclohexane and 1-methyl-1-trifluoromethyl-1-silacyclohexane: Gas electron diffraction, low-temperature NMR, temperature-dependent Raman spectroscopy, and quantum chemical calculations

Sunna Ó. Wallevik, Ragnar Bjornsson, Ágúst Kvaran, Sigridur Jonsdottir, Georgiy V. Girichev, Nina I. Giricheva, Karl Hassler, Ingvar Arnason

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 995 KB

english, 2010

15

Studies on tautomerism: Benchmark quantum chemical calculations on formamide and formamidine

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 305 KB

english, 2010

16

Tautomeric and conformational properties of β-diketones

Natalya V. Belova, Valeriy V. Sliznev, Heinz Oberhammer, Georgiy V. Girichev

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 582 KB

english, 2010

17

Molecular structure and conformations of 1-methoxy-2,3,3,4,4-pentafluorocyclobut-1-ene

Matthew Frogner, Kenneth Hedberg, Lise Hedberg, Bruno Lunelli

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 407 KB

english, 2010

18

Synthesis, vibrational spectroscopy and crystal structure of zinc and sodium tricarboxylate coordination polymers with the flexible ligand tricarballylate anion (TCA3−)

Patricia A.M. Williams, Luciana G. Naso, Gustavo A. Echeverría, Evelina G. Ferrer

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 730 KB

english, 2010

19

Structure and conformational dynamics of oxiranecarboxaldehyde in the ground and excited electronic states

Ekaterina V. Rastoltseva, Vadim A. Bataev, Igor A. Godunov

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 607 KB

english, 2010

20

Specific intermolecular interactions of conserved water molecules with amino acids in the Galectin-1 carbohydrate recognition domain

Santiago Di Lella, Ariel A. Petruk, Diego J. Alonso de Armiño, Rosa M.S. Álvarez

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 1.04 MB

english, 2010

21

Picosecond electron diffraction from molecules aligned by dissociation

M. Centurion, P. Reckenthaeler, F. Krausz, E. Fill

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 793 KB

english, 2010

22

Symmetry breaking in linear : A theoretical study

Wenli Zou, Dong Xu, Peter Zajac, Andrew L. Cooksy, Isaac B. Bersuker, Yang Liu, James E. Boggs

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 613 KB

english, 2010

23

Molecular structure and conformational preferences of methylthiodichlorophosphite, Cl2PSCH3, as studied by gas electron diffraction and quantum-chemical calculations

A.V. Belyakov, A.N. Khramov, V.A. Naumov

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 1.08 MB

english, 2010

24

Conformational energetics and low-frequency vibrations of cyclohexene and its oxygen analogs

Esther J. Ocola, Teresa Brito, Kathleen McCann, Jaan Laane

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 484 KB

english, 2010

25

A phenomenological relationship between molecular geometry change and conformational energy change

Andras Bodi, Ragnar Bjornsson, Ingvar Arnason

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 417 KB

english, 2010

26

Synthesis and characterization of the first phosphonic diamide containing thiazolyl groups: Structural properties and tautomeric equilibrium

Khodayar Gholivand, Sedighe Farshadian, Mauricio F. Erben, Carlos O. Della Védova

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 573 KB

english, 2010

27

Pentafluoroethyliminosulfur difluoride, CF3CF2NSF2: Vibrational spectra and quantum chemical calculations

Norma L. Robles, Edgardo H. Cutin, Rüdiger Mews, Carlos O. Della Védova

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 449 KB

english, 2010

28

Infrared matrix-isolation studies of the CS2···HCl molecular complex

A. Lorena Picone, Rosana M. Romano

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 473 KB

english, 2010

29

The molecular structure of N,N′-disulfinyl-3,4,5,6-tetrafluoro-1,2-diaminobenzene: A computational and X-ray diffraction study

Arkady G. Makarov, Irina Yu. Bagryanskaya, Yuri V. Gatilov, Alexander Yu. Makarov, Karla Tersago, Christian Van Alsenoy, Frank Blockhuys, Andrey V. Zibarev

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 491 KB

english, 2010

30

The rotational spectrum of Roesky’s ketone

Frank Blockhuys, Karla Tersago, Sergey A. Shlykov, Alexander Konrad, Dines Christen

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 591 KB

english, 2010

31

3D visualization of molecular structures in the MOGADOC database

Natalja Vogt, Evgeny Popov, Rainer Rudert, Rüdiger Kramer, Jürgen Vogt

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 788 KB

english, 2010

32

Octamethylporphyrin copper, C28H28N4Cu – A first experimental structure determination of porphyrins in gas phase

Georgiy V. Girichev, Nina I. Giricheva, Oleg A. Golubchikov, Yuriy V. Mimenkov, Alexander S. Semeikin, Sergey A. Shlykov

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 554 KB

english, 2010

33

Equilibrium structure of maleic anhydride from gas-phase electron diffraction (GED) and quantum-chemical studies

Natalja Vogt, Ekaterina P. Altova, Nikolai M. Karasev

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 365 KB

english, 2010

34

Gas-phase structure, rotational barrier and vibrational properties of trimethylsilyl trifluoroacetate CF3C(O)OSi(CH3)3: An experimental and computational study

María E. Defonsi Lestard, María E. Tuttolomondo, Eduardo L. Varetti, Derek A. Wann, Heather E. Robertson, David W.H. Rankin, Aida Ben Altabef

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 903 KB

english, 2010

35

Editorial board

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 27 KB

english, 2010

36

Volume contents

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 170 KB

english, 2010

37

The molecular structure of 1,1-dichlorosilacyclopentane as obtained from gas-phase electron diffraction and ab initio calculations

Marwan Dakkouri, Volker Typke

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 727 KB

english, 2010

38

An alternative gas-phase electron diffraction and quantum chemical study of nitroethane

Igor F. Shishkov, Victor A. Sipachev, Piotr I. Dem’yanov, Olga V. Dorofeeva, Natalja Vogt, Yuriy V. Vishnevskiy, Lev V. Vilkov

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 1012 KB

english, 2010

39

Molecular structure and conformations of 2-nitrobenzenesulfonyl fluoride: Gas-phase electron diffraction and quantum chemical calculations study

Vjacheslav M. Petrov, Georgiy V. Girichev, Heinz Oberhammer, Nina I. Giricheva, Anna V. Bardina, Valentina N. Petrova, Sergey N. Ivanov

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 555 KB

english, 2010

40

An improved data reduction procedure for processing electron diffraction images and its application to structural study of carbon tetrachloride

A.V. Zakharov, Yu. A. Zhabanov

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 666 KB

english, 2010

41

Synthesis, structural studies and vibrational spectroscopy of Fe2+ and Zn2+ complexes containing 4,4′-bipyridine and barbiturate anion

Humberto C. Garcia, Renata Diniz, Maria I. Yoshida, Luiz Fernando C. de Oliveira

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 799 KB

english, 2010

42

Stereoisomeric 2-butylphenylsulfoxides and their binding modes in the adduct formation with an enantiopure dirhodium tetracarboxylate complex

Jens T. Mattiza, Vera J. Meyer, Helmut Duddeck

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 1.17 MB

english, 2010

43

A gas-phase electron diffraction and quantum chemical investigation of the molecular structure of 1-bromosilacyclobutane

M. Dakkouri, V.P. Novikov, L.V. Vilkov

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 489 KB

english, 2010

44

Molecular structure and conformational composition of methyl chloroacetate: An electron-diffraction and ab initio molecular orbital investigation

Kirsten Aarset, Kjell Gunnar Boldermo, Kolbjørn Hagen

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 578 KB

english, 2010

45

The molecular structure of TbI3, DyI3, HoI3 and ErI3 as determined by synchronous gas-phase electron diffraction and mass spectrometric experiment assisted by quantum chemical calculations

Sergey A. Shlykov, Nina I. Giricheva, Elena A. Lapykina, Georgiy V. Girichev, Heinz Oberhammer

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 471 KB

english, 2010

46

Biography of Heinz Oberhammer

Marwan Dakkouri, Carlos Della Védova, Jaan Laane

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 240 KB

english, 2010

47

Characterization of cultural remains associated to a human skeleton found at the site HMS Swift (1770)

M.S. Maier, B.A. Gómez, S.D. Parera, D. Elkin, H. De Rosa, N.C. Ciarlo, H. Svoboda

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 840 KB

english, 2010

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