Volume 305; Issue 1-3

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Chemical Physics
Volume 305; Issue 1-3

Chemical Physics

Volume 305; Issue 1-3

1

First infrared spectroscopic characterization of the disilyl (Si2H5) and d5-disilyl (Si2D5) radicals in low temperature silane matrices

David Sillars, Chris J. Bennett, Yoshihiro Osamura, Ralf I. Kaiser

Journal:

Chemical Physics

Year:

2004

Language:

english

File:

PDF, 551 KB

english, 2004

2

A proposed experiment to measure the parity-violating energy difference between enantiomers from the optical rotation of chiral ammonia-like “cat” molecules

A.J. MacDermott, R.A. Hegstrom

Journal:

Chemical Physics

Year:

2004

Language:

english

File:

PDF, 287 KB

english, 2004

3

Optical rotation of molecules in beams: the magic angle

A.J. MacDermott, R.A. Hegstrom

Journal:

Chemical Physics

Year:

2004

Language:

english

File:

PDF, 204 KB

english, 2004

4

A DFT study of asymmetric meso-substituted porphyrins and their zinc complexes

Oana Cramariuc, Terttu I. Hukka, Tapio T. Rantala

Journal:

Chemical Physics

Year:

2004

Language:

english

File:

PDF, 788 KB

english, 2004

5

A harmonic adiabatic approximation to calculate vibrational states of ammonia

David Lauvergnat, André Nauts

Journal:

Chemical Physics

Year:

2004

Language:

english

File:

PDF, 255 KB

english, 2004

6

Jet-cooled and room temperature FTIR spectra of the dimer of formic acid in the gas phase

R. Georges, M. Freytes, D. Hurtmans, I. Kleiner, J. Vander Auwera, M. Herman

Journal:

Chemical Physics

Year:

2004

Language:

english

File:

PDF, 551 KB

english, 2004

7

The vibrational spectrum of (H2O)2: comparison between anharmonic ab initio calculations and neon matrix infrared data between 9000 and 90 cm−1

Y. Bouteiller, J.P. Perchard

Journal:

Chemical Physics

Year:

2004

Language:

english

File:

PDF, 327 KB

english, 2004

8

Fluorescence of 4-aminophthalimide in supercritical CO2–ethanol mixtures

Diana E. Wetzler, Roberto Fernández-Prini, Pedro F. Aramendía

Journal:

Chemical Physics

Year:

2004

Language:

english

File:

PDF, 410 KB

english, 2004

9

Renormalization group theory for fluids including critical region. I. Pure fluids

Jianguo Mi, Chongli Zhong, Yi-Gui Li, Jian Chen

Journal:

Chemical Physics

Year:

2004

Language:

english

File:

PDF, 499 KB

english, 2004

10

Formation of the central vacancy in icosahedral Lennard-Jones clusters

Xueguang Shao, Yuhong Xiang, Wensheng Cai

Journal:

Chemical Physics

Year:

2004

Language:

english

File:

PDF, 473 KB

english, 2004

11

Electroabsorption study of vacuum-evaporated films of Pt(II)octaethylporphyrin

Waldemar Stampor

Journal:

Chemical Physics

Year:

2004

Language:

english

File:

PDF, 391 KB

english, 2004

12

Structure and dynamics of the surfactant molecules in dodecyltrimethylammonium · poly(α,l-glutamate) self-assembled complexes

David Zanuy, Jordi Casanovas, Carlos Alemán

Journal:

Chemical Physics

Year:

2004

Language:

english

File:

PDF, 723 KB

english, 2004

13

Excited state intramolecular proton transfer in 2-(2′-amino-3-pyridyl)-benzimidazole: effect of solvents

M.M. Balamurali, S.K. Dogra

Journal:

Chemical Physics

Year:

2004

Language:

english

File:

PDF, 416 KB

english, 2004

14

Microwave observation of H3N–SO3⋯H2O using a concentric, dual-injection nozzle source

S.W. Hunt, C.S. Brauer, M.B. Craddock, K.J. Higgins, A.M. Nienow, K.R. Leopold

Journal:

Chemical Physics

Year:

2004

Language:

english

File:

PDF, 406 KB

english, 2004

15

Electronic spectroscopy of 1-naphthol/solvent clusters 1-NpOH/S, S = H2O, Ar and N2

M. Zierhut, W. Roth, S. Dümmler, I. Fischer

Journal:

Chemical Physics

Year:

2004

Language:

english

File:

PDF, 416 KB

english, 2004

16

Density functional theory studies of lithium porphyrin radicals

Xu Lian-Cai, Li Zun-Yun, He Tian-Jing, Liu Fan-Chen, Chen Dong-Ming

Journal:

Chemical Physics

Year:

2004

Language:

english

File:

PDF, 361 KB

english, 2004

17

First hyperpolarizability in a new benzimidazole derivative

Fabiano Severo Rodembusch, Tiago Buckup, Maximiliano Segala, Luciana Tavares, Ricardo Rego Bordalo Correia, Valter Stefani

Journal:

Chemical Physics

Year:

2004

Language:

english

File:

PDF, 364 KB

english, 2004

18

On photoinduced double-proton transfer reactions: the photophysics of the 9H-imidazo[1,2-a]benzimidazole dimer

J. Catalán, J.L.G. de Paz, J.C. del Valle, R.M. Claramunt, Th. Mas

Journal:

Chemical Physics

Year:

2004

Language:

english

File:

PDF, 606 KB

english, 2004

19

Structure and dynamics of Co2+ in liquid ammonia: ab initio QM/MM molecular dynamics simulation

Ria Armunanto, Christian F. Schwenk, Bernhard R. Randolf, Bernd M. Rode

Journal:

Chemical Physics

Year:

2004

Language:

english

File:

PDF, 326 KB

english, 2004

20

Calculation of 0–0 excitation energies of organic molecules by CIS(D) quantum chemical methods

Stefan Grimme, Ekaterina I. Izgorodina

Journal:

Chemical Physics

Year:

2004

Language:

english

File:

PDF, 322 KB

english, 2004

21

Decrease in the configurational entropy during a melt’s polymerization

Journal:

Chemical Physics

Year:

2004

Language:

english

File:

PDF, 327 KB

english, 2004

22

A computational investigation on GenCl− and GenCl (n = 1–6) clusters by density functional methods

Ju-Guang Han, Zhao-Yu Ren, Yun-Wu Zhang

Journal:

Chemical Physics

Year:

2004

Language:

english

File:

PDF, 354 KB

english, 2004

23

Scaled DFT selenium NMR chemical shieldings

Journal:

Chemical Physics

Year:

2004

Language:

english

File:

PDF, 262 KB

english, 2004

24

Inhibition of positronium formation by nitroso spin trap scavengers in methanol–water mixed solvents

Béla Lévay, Márton Boros

Journal:

Chemical Physics

Year:

2004

Language:

english

File:

PDF, 334 KB

english, 2004

25

A temperature-dependent Hartree approach for excess proton transport in hydrogen-bonded chains

Journal:

Chemical Physics

Year:

2004

Language:

english

File:

PDF, 656 KB

english, 2004

26

Quantum optimal control of ozone isomerization

Maxim Artamonov, Tak-San Ho, Herschel Rabitz

Journal:

Chemical Physics

Year:

2004

Language:

english

File:

PDF, 996 KB

english, 2004

27

Examination of the hydroperoxy radical and its closed-shell “analogues” – the protonation sites: topological predictions and ab initio study of the protonated forms

Andrzej Bil, Zdzisław Latajka

Journal:

Chemical Physics

Year:

2004

Language:

english

File:

PDF, 493 KB

english, 2004

28

Nature of the electronic transitions in thiacarbocyanines with a long polymethine chain

Richard S. Lepkowicz, Olga V. Przhonska, Joel M. Hales, Jie Fu, David J. Hagan, Eric W. Van Stryland, Mikhail V. Bondar, Yuriy L. Slominsky, Alexei D. Kachkovski

Journal:

Chemical Physics

Year:

2004

Language:

english

File:

PDF, 657 KB

english, 2004

29

Quenching of Li(3P) by CH4, C2H4, C2H6, C3H8

James Tucker Swindell II, Benjamin McCarter, Vivek Komaragiri, Solomon Bililign

Journal:

Chemical Physics

Year:

2004

Language:

english

File:

PDF, 328 KB

english, 2004

30

Supramolecular porphyrin/fullerene interactions studied by spectral methods

Andrzej Łapiński, Andrzej Graja, Iwona Olejniczak, Andrzej Bogucki, Hiroshi Imahori

Journal:

Chemical Physics

Year:

2004

Language:

english

File:

PDF, 373 KB

english, 2004

31

Mass analyzed threshold ionization spectroscopy of p -aminophenol cation and the substitution effect

Yan Xie, Jung Lee Lin, Wen Bih Tzeng

Journal:

Chemical Physics

Year:

2004

Language:

english

File:

PDF, 320 KB

english, 2004

32

A density functional study of EPR hyperfine coupling of vanadocene(IV) complexes

Jan Honzíček, Jaromír Vinklárek, Petr Nachtigall

Journal:

Chemical Physics

Year:

2004

Language:

english

File:

PDF, 396 KB

english, 2004

33

Possible molecular hydrogen formation mediated by the inner and outer carbon atoms of typical PAH cations

Mutsumi Hirama, Takaaki Tokosumi, Toshimasa Ishida, Jun-ichi Aihara

Journal:

Chemical Physics

Year:

2004

Language:

english

File:

PDF, 487 KB

english, 2004

34

Polarizability of acetanilide and RDX in the crystal: effect of molecular geometry

D. Tsiaousis, R.W. Munn, P.J. Smith, P.L.A. Popelier

Journal:

Chemical Physics

Year:

2004

Language:

english

File:

PDF, 357 KB

english, 2004

35

Editorial board

Journal:

Chemical Physics

Year:

2004

Language:

english

File:

PDF, 67 KB

english, 2004

36

Author index

Journal:

Chemical Physics

Year:

2004

Language:

english

File:

PDF, 132 KB

english, 2004

37

Subject index

Journal:

Chemical Physics

Year:

2004

Language:

english

File:

PDF, 167 KB

english, 2004

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