Volume 695-696; Issue none

Main
Journal of Molecular Structure
Volume 695-696; Issue none

Journal of Molecular Structure

Volume 695-696; Issue none

1

Ab initio anharmonic force field and ab initio and experimental equilibrium structures of formyl chloride

J. Demaison, James E. Boggs, H.D. Rudolph

Journal:

Journal of Molecular Structure

Year:

2004

Language:

english

File:

PDF, 150 KB

english, 2004

2

Microwave spectra, nuclear field shift effects, geometries and hyperfine constants of bismuth mononitride, BiN, and bismuth monophosphide, BiP

Stephen A. Cooke, Julie M. Michaud, Michael C.L. Gerry

Journal:

Journal of Molecular Structure

Year:

2004

Language:

english

File:

PDF, 191 KB

english, 2004

3

Fourier transform spectra and torsion–rotation structure of the CO-stretching 2ν8 overtone and 2ν8–ν8 hot band of CH3OH

R.M. Lees, M. Mollabashi, Li-Hong Xu, M. Lock, B.P. Winnewisser, Z.-F. Lu, J.W.C. Johns

Journal:

Journal of Molecular Structure

Year:

2004

Language:

english

File:

PDF, 297 KB

english, 2004

4

Pure rotational spectroscopy of potassium chloride, KCl, up to 930 GHz and isotopically invariant analysis of KCl and NaCl

M. Caris, F. Lewen, H.S.P. Müller, G. Winnewisser

Journal:

Journal of Molecular Structure

Year:

2004

Language:

english

File:

PDF, 181 KB

english, 2004

5

Vibrational spectra, conformational equilibrium and ab initio calculations of 1,2-diphenylethane

Anne Horn, Peter Klaeboe, Bojidar Jordanov, Claus J. Nielsen, Valdemaras Aleksa

Journal:

Journal of Molecular Structure

Year:

2004

Language:

english

File:

PDF, 323 KB

english, 2004

6

Matrix isolation spectroscopy of H2O, D2O, and HDO in solid parahydrogen

Mario E. Fajardo, Simon Tam, Michelle E. DeRose

Journal:

Journal of Molecular Structure

Year:

2004

Language:

english

File:

PDF, 440 KB

english, 2004

7

Collisional dynamics of the first excited states of neon in the 590-670 nm region using laser optogalvanic spectroscopy

X.L. Han, M.C. Su, C. Haridass, P. Misra

Journal:

Journal of Molecular Structure

Year:

2004

Language:

english

File:

PDF, 391 KB

english, 2004

8

Intramolecular hydrogen bonding in (1-fluorocyclopropyl)methanol as studied by microwave spectroscopy and quantum chemical calculations

H. Møllendal, A. Leonov, A. de Meijere

Journal:

Journal of Molecular Structure

Year:

2004

Language:

english

File:

PDF, 171 KB

english, 2004

9

Analysis of the rotational structure in bands in the high-resolution infrared spectra of butadiene and butadiene-2,3-d2: refinement in assignments of fundamentals

Norman C. Craig, Jedidiah L. Davis, Keith A. Hanson, Michael C. Moore, Kevin J. Weidenbaum, Michael Lock

Journal:

Journal of Molecular Structure

Year:

2004

Language:

english

File:

PDF, 483 KB

english, 2004

10

Structure searching in the MOGADOC database

Jürgen Vogt, Natalja Vogt

Journal:

Journal of Molecular Structure

Year:

2004

Language:

english

File:

PDF, 374 KB

english, 2004

11

Global analysis of high resolution infrared and rotational spectra of HCCC15N up to 1335 cm−1

André Fayt, Corinne Vigouroux, Fabrice Willaert, Laurent Margules, Lucian Florin Constantin, Jean Demaison, Gottfried Pawelke, El Bachir Mkadmi, Hans Bürger

Journal:

Journal of Molecular Structure

Year:

2004

Language:

english

File:

PDF, 363 KB

english, 2004

12

Molecular structure, spectral constants, and fermi resonances in chlorine nitrate

Douglas T. Petkie, Rebecca A.H. Butler, Paul Helminger, Frank C. De Lucia

Journal:

Journal of Molecular Structure

Year:

2004

Language:

english

File:

PDF, 157 KB

english, 2004

13

Highly excited symmetry-breaking infrared and THz transitions in methanol-D1

Indranath Mukhopadhyay

Journal:

Journal of Molecular Structure

Year:

2004

Language:

english

File:

PDF, 201 KB

english, 2004

14

A theoretical study of the millimeterwave spectrum of CH5+

P.R. Bunker, B. Ostojić, S. Yurchenko

Journal:

Journal of Molecular Structure

Year:

2004

Language:

english

File:

PDF, 207 KB

english, 2004

15

A tribute to the Winnewissers or how science meets technology

Journal:

Journal of Molecular Structure

Year:

2004

Language:

english

File:

PDF, 365 KB

english, 2004

16

Temperature dependence of self- and N2-broadeningand pressure-induced shifts in the 3←0 band of CO

A. Predoi-Cross, C. Hnatovsky, K. Strong, J.R. Drummond, D. Chris Benner

Journal:

Journal of Molecular Structure

Year:

2004

Language:

english

File:

PDF, 465 KB

english, 2004

17

Torsional Coriolis coefficients in a ‘regular’ vibrational basis for molecules with one pair of internal rotors

F. Lattanzi, C. di Lauro

Journal:

Journal of Molecular Structure

Year:

2004

Language:

english

File:

PDF, 184 KB

english, 2004

18

New gas phase reaction to iodine azide, IN3: microwave spectrum and structure

H.-O. Munz, H.-K. Bodenseh, M. Ferner

Journal:

Journal of Molecular Structure

Year:

2004

Language:

english

File:

PDF, 205 KB

english, 2004

19

Rovibrational analysis of the ν4 and ν5+ν9 bands of CHCl2F

Sieghard Albert, Karen Keppler Albert, Martin Quack

Journal:

Journal of Molecular Structure

Year:

2004

Language:

english

File:

PDF, 683 KB

english, 2004

20

Atropisomerism in bisphenols: free jet absorption millimeter wave study of 2,2′-biphenol

Paolo Ottaviani, Assimo Maris, Walther Caminati

Journal:

Journal of Molecular Structure

Year:

2004

Language:

english

File:

PDF, 115 KB

english, 2004

21

A comment on the use of redundant vibrational coordinates

James K.G. Watson

Journal:

Journal of Molecular Structure

Year:

2004

Language:

english

File:

PDF, 104 KB

english, 2004

22

How does a reaction path branching take place? A classification of bifurcation events

Journal:

Journal of Molecular Structure

Year:

2004

Language:

english

File:

PDF, 318 KB

english, 2004

23

Absorption spectroscopy in solid hydrogen: challenges to experimentalists and theorists

Adya P. Mishra, T.K. Balasubramanian, R.H. Tipping, Q. Ma

Journal:

Journal of Molecular Structure

Year:

2004

Language:

english

File:

PDF, 159 KB

english, 2004

24

Infrared intensities of liquids XXIV: optical constants of liquid benzene-h6 at 25 °C extended to 11.5 cm−1 and molar polarizabilities and integrated intensities of benzene-h6 between 6200 and 11.5 cm−1

John E. Bertie, C.Dale Keefe

Journal:

Journal of Molecular Structure

Year:

2004

Language:

english

File:

PDF, 307 KB

english, 2004

25

An ab initio study of diazirine: equilibrium structure and molecular properties

Cristina Puzzarini, Alberto Gambi, Gabriele Cazzoli

Journal:

Journal of Molecular Structure

Year:

2004

Language:

english

File:

PDF, 146 KB

english, 2004

26

New rotation–vibration band and potential energy function of NeH+ in the ground electronic state

S. Civiš, J. Šebera, V. Špirko, J. Fišer, W.P. Kraemer, K. Kawaguchi

Journal:

Journal of Molecular Structure

Year:

2004

Language:

english

File:

PDF, 150 KB

english, 2004

27

Near infrared diode laser cw slit jet investigations of O13C:HCl, 14N2:HBr and OC:HBr

Z. Wang, A.L. McIntosh, R.R. Lucchese, J.W. Bevan

Journal:

Journal of Molecular Structure

Year:

2004

Language:

english

File:

PDF, 207 KB

english, 2004

28

Time averaged emission spectra of Nd:YAG laser induced carbon plasmas

Anna Mária Keszler, László Nemes

Journal:

Journal of Molecular Structure

Year:

2004

Language:

english

File:

PDF, 201 KB

english, 2004

29

A theoretical study of the MgNC/MgCN isomerization in the electronic ground state

Ota Bludský, Vladimı́r Špirko, Tina Erica Odaka, Per Jensen, Tsuneo Hirano

Journal:

Journal of Molecular Structure

Year:

2004

Language:

english

File:

PDF, 235 KB

english, 2004

30

High-field rotational Zeeman effect studies of MODR transitions in the ground state of fluorocarbene, HCF

M. Wagner, M. Gamperling, W. Hüttner

Journal:

Journal of Molecular Structure

Year:

2004

Language:

english

File:

PDF, 404 KB

english, 2004

31

Fourier transform far infrared spectrum of CD3OD: detailed analysis in the torsional ground state

Indranath Mukhopadhyay, Yun-Bo Duan, Stefan Klee

Journal:

Journal of Molecular Structure

Year:

2004

Language:

english

File:

PDF, 278 KB

english, 2004

32

Line intensities of CH3D in the Triad region: 6–10 μm

L.R. Brown, A. Nikitin, D.Chris Benner, V.Malathy Devi, M.A.H. Smith, L. Fejard, J.P. Champion, Vl.G. Tyuterev, R.L. Sams

Journal:

Journal of Molecular Structure

Year:

2004

Language:

english

File:

PDF, 265 KB

english, 2004

33

Internal rotation tunnelling in HSOH

Koichi M.T. Yamada, Gisbert Winnewisser, Per Jensen

Journal:

Journal of Molecular Structure

Year:

2004

Language:

english

File:

PDF, 338 KB

english, 2004

34

Vibrational frequencies and structure of cyclopropenone from ab initio calculations

Juan Yang, Kathleen McCann, Jaan Laane

Journal:

Journal of Molecular Structure

Year:

2004

Language:

english

File:

PDF, 99 KB

english, 2004

35

The submillimeter wave spectrum of the C4H4 isomer vinylacetylene

Sven Thorwirth, Holger S.P. Müller, Holger Lichau, Gisbert Winnewisser, Georg Ch. Mellau

Journal:

Journal of Molecular Structure

Year:

2004

Language:

english

File:

PDF, 96 KB

english, 2004

36

Low temperature dissociation of CO at reactive step sites of Pd(112)

A. Wille, P. Nickut, K. Al-Shamery

Journal:

Journal of Molecular Structure

Year:

2004

Language:

english

File:

PDF, 252 KB

english, 2004

37

Brenda and Manfred Winnewisser

Per Jensen, Frank De Lucia, Koichi Yamada

Journal:

Journal of Molecular Structure

Year:

2004

Language:

english

File:

PDF, 74 KB

english, 2004

38

Editorial Board

Journal:

Journal of Molecular Structure

Year:

2004

Language:

english

File:

PDF, 22 KB

english, 2004

39

Author Index

Journal:

Journal of Molecular Structure

Year:

2004

File:

PDF, 33 KB

2004

40

Subject Index

Journal:

Journal of Molecular Structure

Year:

2004

Language:

english

File:

PDF, 64 KB

english, 2004

41

Photograph

Journal:

Journal of Molecular Structure

Year:

2004

File:

PDF, 80 KB

2004

42

New Fourier transform infrared emission spectra of CaH and SrH: combined isotopomer analyses with CaD and SrD

Alireza Shayesteh, Kaley A. Walker, Iouli Gordon, Dominique R.T. Appadoo, Peter F. Bernath

Journal:

Journal of Molecular Structure

Year:

2004

Language:

english

File:

PDF, 246 KB

english, 2004