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Volume 328; Issue 1-3
Main
Chemical Physics
Volume 328; Issue 1-3
Chemical Physics
Volume 328; Issue 1-3
1
The role of oxidation states in FA1 Tln+ (n = 1, 3) lasers and CO interactions at the (1 0 0) surface of NaCl: An ab initio study
A.S. Shalabi
,
S. Abdel Aal
,
M.A. Kamel
,
H.O. Taha
,
H.Y. Ammar
,
W.S. Abdel Halim
Journal:
Chemical Physics
Year:
2006
Language:
english
File:
PDF, 248 KB
Your tags:
english, 2006
2
Harmonic vibrational blue shifts in FXeH…Y complexes (Y = N2, CO, BF and HF) predicted by a perturbative model
Sean A.C. McDowell
Journal:
Chemical Physics
Year:
2006
Language:
english
File:
PDF, 138 KB
Your tags:
english, 2006
3
Calculation of transient CIDEP spectra of spin-correlated radical pairs in nanotubes
N.N. Lukzen
,
K.L. Ivanov
,
V.A. Morozov
,
D.R. Kattnig
,
G. Grampp
Journal:
Chemical Physics
Year:
2006
Language:
english
File:
PDF, 334 KB
Your tags:
english, 2006
4
Polymorphs of α-sexithiophene probed by lattice phonon Raman microscopy
Aldo Brillante
,
Ivano Bilotti
,
Fabio Biscarini
,
Raffaele Guido Della Valle
,
Elisabetta Venuti
Journal:
Chemical Physics
Year:
2006
Language:
english
File:
PDF, 242 KB
Your tags:
english, 2006
5
Computational studies of one-electron properties of lithium hydride in confinement
J.M.H. Lo
,
M. Klobukowski
Journal:
Chemical Physics
Year:
2006
Language:
english
File:
PDF, 252 KB
Your tags:
english, 2006
6
Systematic theoretical investigations on all of the tautomers of guanine: From both dynamics and thermodynamics viewpoint
Wanchun Liang
,
Haoran Li
,
Xingbang Hu
,
Shijun Han
Journal:
Chemical Physics
Year:
2006
Language:
english
File:
PDF, 209 KB
Your tags:
english, 2006
7
Quasielastic neutron scattering measurements of fast process and methyl group dynamics in glassy poly(vinyl acetate)
Chuhong Zhang
,
Valeria Arrighi
,
Simona Gagliardi
,
Iain J. McEwen
,
Jeerachada Tanchawanich
,
Mark T.F. Telling
,
J.-M. Zanotti
Journal:
Chemical Physics
Year:
2006
Language:
english
File:
PDF, 638 KB
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english, 2006
8
Interaction of a supersonic NO beam with static and resonant RF fields: Simple theoretical model to account for molecular interferences
A. González Ureña
,
J.O. Caceres
,
M. Morato
Journal:
Chemical Physics
Year:
2006
Language:
english
File:
PDF, 218 KB
Your tags:
english, 2006
9
Kinetic control of the current through a single molecule
E.G. Petrov
,
Ya.R. Zelinskyy
,
V. May
,
P. Hänggi
Journal:
Chemical Physics
Year:
2006
Language:
english
File:
PDF, 399 KB
Your tags:
english, 2006
10
Molecular dynamics study on the vibrational energy relaxation of O–D stretch of HOD in liquid H2O
Guocai Tian
Journal:
Chemical Physics
Year:
2006
Language:
english
File:
PDF, 164 KB
Your tags:
english, 2006
11
Concerted transfer and transfer direction of three protons in the protonated amino-acid dimers
Hongqi Ai
,
Qiang Li
Journal:
Chemical Physics
Year:
2006
Language:
english
File:
PDF, 1.12 MB
Your tags:
english, 2006
12
Ab initio calculation of entropy and heat capacity of gas-phase n-alkanes with hetero-elements O and S: Ethers/alcohols and sulfides/thiols
P. Vansteenkiste
,
T. Verstraelen
,
V. Van Speybroeck
,
M. Waroquier
Journal:
Chemical Physics
Year:
2006
Language:
english
File:
PDF, 3.31 MB
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english, 2006
13
Conformational equilibria in EE-1,3-di-(3′-thienylethenyl)benzene: One-way adiabatic interconversion of rotamers in S1 and their excited state properties
G. Bartocci
,
G. Ginocchietti
,
U. Mazzucato
,
A. Spalletti
Journal:
Chemical Physics
Year:
2006
Language:
english
File:
PDF, 272 KB
Your tags:
english, 2006
14
Platinum (II) dialkynyl bridged binuclear complex and related multinuclear oligomer: Comparison of EXAFS and X-ray crystal structure studies
Chiara Battocchio
,
Francesco D’Acapito
,
Ilaria Fratoddi
,
Alessandra La Groia
,
Giovanni Polzonetti
,
Giuseppina Roviello
,
Maria Vittoria Russo
Journal:
Chemical Physics
Year:
2006
Language:
english
File:
PDF, 355 KB
Your tags:
english, 2006
15
Electrochemical characteristics of copolymers electrochemically synthesized from N-methylpyrrole and 3,4-ethylenedioxythiophene on steel electrodes: Comparison with homopolymers
Ramón Oliver
,
Alba Muñoz
,
Cintia Ocampo
,
Carlos Alemán
,
Elaine Armelin
,
Francesc Estrany
Journal:
Chemical Physics
Year:
2006
Language:
english
File:
PDF, 273 KB
Your tags:
english, 2006
16
Electronic structure of hexafluorobenzene by high-resolution vacuum ultraviolet photo-absorption and He(I) photoelectron spectroscopy
C. Motch
,
A. Giuliani
,
J. Delwiche
,
P. Limão-Vieira
,
N.J. Mason
,
S.V. Hoffmann
,
M.-J. Hubin-Franskin
Journal:
Chemical Physics
Year:
2006
Language:
english
File:
PDF, 246 KB
Your tags:
english, 2006
17
Studies on the local structures of the substitutional and interstitial Ni3+ centers in rutile
Shao-Yi Wu
,
Xiu-Ying Gao
,
Ji-Zi Lin
,
Qiang Fu
,
Guang-Duo Lu
Journal:
Chemical Physics
Year:
2006
Language:
english
File:
PDF, 163 KB
Your tags:
english, 2006
18
Reaction of N(2D) atoms with bromomethyl radicals: A theoretical study
A. Cimas
,
V.M. Rayón
,
C. Barrientos
,
M. Aschi
,
J.A. Sordo
,
A. Largo
Journal:
Chemical Physics
Year:
2006
Language:
english
File:
PDF, 277 KB
Your tags:
english, 2006
19
Ab initio study of XenI− (n = 1–6) clusters
Xinying Li
,
Yongfang Zhao
,
Xiaogong Jing
,
Fengli Liu
,
Fengyou Hao
Journal:
Chemical Physics
Year:
2006
Language:
english
File:
PDF, 161 KB
Your tags:
english, 2006
20
Quantum optimal control of HCN isomerization
Maxim Artamonov
,
Tak-San Ho
,
Herschel Rabitz
Journal:
Chemical Physics
Year:
2006
Language:
english
File:
PDF, 492 KB
Your tags:
english, 2006
21
Synthesis, structure and nonlinear optical properties of two new one and two-branch two-photon polymerization initiators
Xian Zhang
,
XiaoQiang Yu
,
YuMing Sun
,
HongYan Xu
,
YunGuo Feng
,
BoBiao Huang
,
XuTang Tao
,
MinHua Jiang
Journal:
Chemical Physics
Year:
2006
Language:
english
File:
PDF, 477 KB
Your tags:
english, 2006
22
A density functional study on iodine dioxide–water complexes
Weigang Wang
,
Maofa Ge
,
Dianxun Wang
Journal:
Chemical Physics
Year:
2006
Language:
english
File:
PDF, 591 KB
Your tags:
english, 2006
23
A theoretical study on the dissociation of Cl2 on MgO(0 0 1) surface: Prompted by silver atoms supported on surface
Yi Li
,
Yongfan Zhang
,
Liming Wu
,
Yijun Xu
,
Wenkai Chen
,
Junqian Li
Journal:
Chemical Physics
Year:
2006
Language:
english
File:
PDF, 498 KB
Your tags:
english, 2006
24
Experimental Q-dependence of the rotational J = 0-to-1 transition of molecular hydrogen adsorbed in single-wall carbon nanotube bundles
P.A. Georgiev
,
A. Giannasi
,
D.K. Ross
,
M. Zoppi
,
J.L. Sauvajol
,
J. Stride
Journal:
Chemical Physics
Year:
2006
Language:
english
File:
PDF, 217 KB
Your tags:
english, 2006
25
On the geometry dependence of molecular dimer spectra with an application to aggregates of perylene bisimide
J. Seibt
,
P. Marquetand
,
Volker Engel
,
Z. Chen
,
V. Dehm
,
F. Würthner
Journal:
Chemical Physics
Year:
2006
Language:
english
File:
PDF, 259 KB
Your tags:
english, 2006
26
Structural features of neutral and protonated galanthamine: A crystallographic database and computational investigation
Soleymane Kone
,
Nicolas Galland
,
Jérôme Graton
,
Bertrand Illien
,
Christian Laurence
,
Catherine Guillou
,
Jean-Yves Le Questel
Journal:
Chemical Physics
Year:
2006
Language:
english
File:
PDF, 320 KB
Your tags:
english, 2006
27
Density functional study on the ClCO + NO2 reaction
A. Lesar
,
M. Bončina
,
M. Hodošček
Journal:
Chemical Physics
Year:
2006
Language:
english
File:
PDF, 379 KB
Your tags:
english, 2006
28
Prediction of surface tension of HFD-like fluids using the Fowler’s approximation
Elaheh K. Goharshadi
,
Mohsen Abbaspour
Journal:
Chemical Physics
Year:
2006
Language:
english
File:
PDF, 145 KB
Your tags:
english, 2006
29
Towards the characterization of energy-transfer processes in organic donor–acceptor dyads based on triphenyldiamine and perylenebisimides
Ch. Scharf
,
K. Peter
,
P. Bauer
,
Ch. Jung
,
M. Thelakkat
,
J. Köhler
Journal:
Chemical Physics
Year:
2006
Language:
english
File:
PDF, 196 KB
Your tags:
english, 2006
30
Time-dependent quantum study of the kinetics of the O(1D) + HBr reaction
Fahrettin Gogtas
Journal:
Chemical Physics
Year:
2006
Language:
english
File:
PDF, 230 KB
Your tags:
english, 2006
31
Molecular modeling of the kinetic isotope effect on the intramolecular hydrogen atom transfer in triplet 6,9-dimethylbenzosuberone
Ricard Casadesús
,
Miquel Moreno
,
José M. Lluch
Journal:
Chemical Physics
Year:
2006
Language:
english
File:
PDF, 267 KB
Your tags:
english, 2006
32
Photoemission studies of gold clusters thermally evaporated on multiwall carbon nanotubes
C. Bittencourt
,
A. Felten
,
B. Douhard
,
J. Ghijsen
,
R.L. Johnson
,
W. Drube
,
J.-J. Pireaux
Journal:
Chemical Physics
Year:
2006
Language:
english
File:
PDF, 762 KB
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english, 2006
33
IFC
Journal:
Chemical Physics
Year:
2006
Language:
english
File:
PDF, 72 KB
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english, 2006
34
Subject Index
Journal:
Chemical Physics
Year:
2006
Language:
english
File:
PDF, 123 KB
Your tags:
english, 2006
35
Conformational topology of ribose: A computational study
Abraham F. Jalbout
,
Ludwik Adamowicz
,
Lucy M. Ziurys
Journal:
Chemical Physics
Year:
2006
Language:
english
File:
PDF, 235 KB
Your tags:
english, 2006
36
Linear and nonlinear electric properties and their dependence on the conformation and intramolecular H-bonding: A model study
Aggelos Avramopoulos
,
Mirosław Jabłoński
,
Manthos G. Papadopoulos
,
Andrzej J. Sadlej
Journal:
Chemical Physics
Year:
2006
Language:
english
File:
PDF, 265 KB
Your tags:
english, 2006
37
Space–time symmetry elements in molecular quantum mechanics: The hydrogen bond
Andrzej Witkowski
Journal:
Chemical Physics
Year:
2006
Language:
english
File:
PDF, 190 KB
Your tags:
english, 2006
38
Vibrational spectroscopic and theoretical study of 3,5-dimethyl-1-thiocarboxamide pyrazole (L) and the complexes Co2L2Cl4, Cu2L2Cl4 and Cu2L2Br2
Dénes Nemcsok
,
Attila Kovács
,
Katalin Mészáros Szécsényi
,
Vukadin M. Leovac
Journal:
Chemical Physics
Year:
2006
Language:
english
File:
PDF, 398 KB
Your tags:
english, 2006
39
Dynamics of secondary and tertiary structure relaxation of a cyclic penta-peptide: Time-resolved FTIR studies
Vladimir I. Makarov
,
Igor V. Khmelinskii
Journal:
Chemical Physics
Year:
2006
Language:
english
File:
PDF, 299 KB
Your tags:
english, 2006
40
Observation of a persistent infrared absorption following two photon ionization of liquid water
Victoria Birkedal
,
Esben Svitzer Yates Madsen
,
Christian Petersen
,
Mette Johnsen
,
Asbjørn Seegert
,
Svend Knak Jensen
,
Søren R. Keiding
,
Jan Thøgersen
Journal:
Chemical Physics
Year:
2006
Language:
english
File:
PDF, 279 KB
Your tags:
english, 2006
41
Amphiphilic aggregation in hydrogen bonding liquids: Dynamic and equilibrium properties
M. Girardi
,
V.B. Henriques
,
W. Figueiredo
Journal:
Chemical Physics
Year:
2006
Language:
english
File:
PDF, 228 KB
Your tags:
english, 2006
42
Dynamics of Rb+–benzene and Rb+–benzene–Arn (n ⩽ 3) clusters
M. Albertí
,
A. Aguilar
,
J.M. Lucas
,
D. Cappelletti
,
A. Laganà
,
F. Pirani
Journal:
Chemical Physics
Year:
2006
Language:
english
File:
PDF, 386 KB
Your tags:
english, 2006
43
Growth kinetics of tin oxide nanocrystals in colloidal suspensions under hydrothermal conditions
Eduardo J.H. Lee
,
Caue Ribeiro
,
Elson Longo
,
Edson R. Leite
Journal:
Chemical Physics
Year:
2006
Language:
english
File:
PDF, 503 KB
Your tags:
english, 2006
44
Photochromism and polarization spectroscopy of p-methyl(thiobenzoyl)acetone
Alexander Gorski
,
Yevgen Posokhov
,
Bjarke K.V. Hansen
,
Jens Spanget-Larsen
,
Jan Jasny
,
Fritz Duus
,
Poul Erik Hansen
,
Jacek Waluk
Journal:
Chemical Physics
Year:
2006
Language:
english
File:
PDF, 799 KB
Your tags:
english, 2006
45
A model two-dimensional potential for internal rotation of 9-methylanthracene studied by electronic spectroscopy and DFT calculations
Masayuki Nakagaki
,
Eriko Nishi
,
Kenji Sakota
,
Haruyuki Nakano
,
Hiroshi Sekiya
Journal:
Chemical Physics
Year:
2006
Language:
english
File:
PDF, 372 KB
Your tags:
english, 2006
46
A thermodynamic study of the amphiphilic phenothiazine drug thioridazine hydrochloride in water/ethanol solvent
Mohammad Arif Cheema
,
Silvia Barbosa
,
Pablo Taboada
,
Emilio Castro
,
Mohammad Siddiq
,
Víctor Mosquera
Journal:
Chemical Physics
Year:
2006
Language:
english
File:
PDF, 249 KB
Your tags:
english, 2006
47
Configuration interaction oscillator strengths of the H2O molecule: Transitions from the ground to the and 11B2 excited states
Itamar Borges Jr.
Journal:
Chemical Physics
Year:
2006
Language:
english
File:
PDF, 156 KB
Your tags:
english, 2006
48
A new algorithm for rigid body molecular dynamics
Natale Neto
,
Luca Bellucci
Journal:
Chemical Physics
Year:
2006
Language:
english
File:
PDF, 376 KB
Your tags:
english, 2006
49
CASPT2 study on electronic states of the C6H5Cl+ ion
Shu-Yuan Yu
,
Ming-Bao Huang
Journal:
Chemical Physics
Year:
2006
Language:
english
File:
PDF, 182 KB
Your tags:
english, 2006
50
The effect of cluster environment on a chemical reaction
Biplab Sarkar
,
Deepak K.S. Bhadauria
,
Nitin Verma
,
Satrajit Adhikari
Journal:
Chemical Physics
Year:
2006
Language:
english
File:
PDF, 181 KB
Your tags:
english, 2006
51
CO adsorption on CeO2(1 1 0) using hybrid-DFT embedded-cluster calculations
Björn Herschend
,
Micael Baudin
,
Kersti Hermansson
Journal:
Chemical Physics
Year:
2006
Language:
english
File:
PDF, 347 KB
Your tags:
english, 2006
52
Verification of theoretical models of chemical exchange reactions on the basis of quasiclassical trajectory calculations
M.Ju. Pogosbekian
,
A.L. Sergievskaia
,
S.A. Losev
Journal:
Chemical Physics
Year:
2006
Language:
english
File:
PDF, 215 KB
Your tags:
english, 2006
53
Time resolved studies of dual emission and photoinduced energy transfer in a Tris methoxy coumarin derivative of a cryptand and its complex with Tb(NO3)3
Subhodip Samanta
,
Maitrayee Basu Roy
,
Sanjib Ghosh
Journal:
Chemical Physics
Year:
2006
Language:
english
File:
PDF, 558 KB
Your tags:
english, 2006
54
Time-dependent density functional theory determination of the absorption spectra of naphthoquinones
Denis Jacquemin
,
Julien Preat
,
Valérie Wathelet
,
Eric A. Perpète
Journal:
Chemical Physics
Year:
2006
Language:
english
File:
PDF, 218 KB
Your tags:
english, 2006
55
Recombination yield of geminate radical pairs in low magnetic fields – A Green’s function method
A.B. Doktorov
,
M.J. Hansen
,
J. Boiden Pedersen
Journal:
Chemical Physics
Year:
2006
Language:
english
File:
PDF, 162 KB
Your tags:
english, 2006
56
Photoinduced electron and energy transfer in a new porphyrin–phthalocyanine triad
Eugeny A. Ermilov
,
Sebastian Tannert
,
Thomas Werncke
,
Michael T.M. Choi
,
Dennis K.P. Ng
,
Beate Röder
Journal:
Chemical Physics
Year:
2006
Language:
english
File:
PDF, 333 KB
Your tags:
english, 2006
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