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Volume 399; Issue none
Main
Chemical Physics
Volume 399; Issue none
Chemical Physics
Volume 399; Issue none
1
Intermolecular potentials for simulations of collisions of SiNCS+ and (CH3)2SiNCS+ ions with fluorinated self-assembled monolayers
Juan José Nogueira
,
Antonio Sánchez-Coronilla
,
Jorge M.C. Marques
,
William L. Hase
,
Emilio Martínez-Núñez
,
Saulo A. Vázquez
Journal:
Chemical Physics
Year:
2012
Language:
english
File:
PDF, 2.38 MB
Your tags:
english, 2012
2
Can water be a catalyst on the HO2 + H2O + O3 reactive cluster?
Luís P. Viegas
,
António J.C. Varandas
Journal:
Chemical Physics
Year:
2012
Language:
english
File:
PDF, 415 KB
Your tags:
english, 2012
3
Clusters of exceptional points for a laser control of selective vibrational transfer
R. Lefebvre
,
A. Jaouadi
,
O. Atabek
Journal:
Chemical Physics
Year:
2012
Language:
english
File:
PDF, 572 KB
Your tags:
english, 2012
4
Nucleation and cavitation in parahydrogen
Martí Pi
,
Manuel Barranco
,
Jesús Navarro
,
Francesco Ancilotto
Journal:
Chemical Physics
Year:
2012
Language:
english
File:
PDF, 485 KB
Your tags:
english, 2012
5
Interactions of ThO(X) with He, Ne and Ar from the ab initio coupled cluster and symmetry adapted perturbation theory calculations
Elvira R. Sayfutyarova
,
Alexei A. Buchachenko
,
Michal Hapka
,
Małgorzata M. Szczęśniak
,
Grzegorz Chałasiński
Journal:
Chemical Physics
Year:
2012
Language:
english
File:
PDF, 606 KB
Your tags:
english, 2012
6
Structure and bonding of ScCN and ScNC: Ground and low-lying states
Apostolos Kalemos
,
Aristophanes Metropoulos
,
Aristides Mavridis
Journal:
Chemical Physics
Year:
2012
Language:
english
File:
PDF, 332 KB
Your tags:
english, 2012
7
Water clusters confined in icosahedral fullerene cavities
J. Hernández-Rojas
,
V. Monteseguro
,
J. Bretón
,
J.M. Gomez Llorente
Journal:
Chemical Physics
Year:
2012
Language:
english
File:
PDF, 720 KB
Your tags:
english, 2012
8
Structure and dynamics of noble gas-halogen and noble gas ionic clusters: When theory meets experiment
J.A. Beswick
,
N. Halberstadt
,
K.C. Janda
Journal:
Chemical Physics
Year:
2012
Language:
english
File:
PDF, 588 KB
Your tags:
english, 2012
9
Photodissociation of N2O: Temperature dependence
R. Schinke
Journal:
Chemical Physics
Year:
2012
Language:
english
File:
PDF, 508 KB
Your tags:
english, 2012
10
Theoretical study of the XP3 (X = Al, B, Ga) clusters
Leonardo T. Ueno
,
Cinara Lopes
,
Thaciana Malaspina
,
Orlando Roberto-Neto
,
Sylvio Canuto
,
Francisco B.C. Machado
Journal:
Chemical Physics
Year:
2012
Language:
english
File:
PDF, 249 KB
Your tags:
english, 2012
11
A theoretical characterization of multiple isomers of the He2I2 complex
Álvaro Valdés
,
Patricia Barragán
,
Ricardo Pérez de Tudela
,
Laura Delgado-Tellez
,
Juan S. Medina
,
Rita Prosmiti
Journal:
Chemical Physics
Year:
2012
Language:
english
File:
PDF, 463 KB
Your tags:
english, 2012
12
Intermolecular potential and rovibrational states of the H2O–D2 complex
Ad van der Avoird
,
Yohann Scribano
,
Alexandre Faure
,
Miles J. Weida
,
Joanna R. Fair
,
David J. Nesbitt
Journal:
Chemical Physics
Year:
2012
Language:
english
File:
PDF, 1.00 MB
Your tags:
english, 2012
13
First-order corrections to semiclassical Gaussian partition functions for clusters of atoms
Holger Cartarius
,
Eli Pollak
Journal:
Chemical Physics
Year:
2012
Language:
english
File:
PDF, 392 KB
Your tags:
english, 2012
14
The H4 model revisited within the framework of the G-particle-hole Hypervirial equation
Carmela Valdemoro
,
Diego R. Alcoba
,
Ofelia B. Oña
,
Luis M. Tel
,
Encarnación Pérez-Romero
,
Josep M. Oliva
Journal:
Chemical Physics
Year:
2012
Language:
english
File:
PDF, 264 KB
Your tags:
english, 2012
15
Properties of the molecular oxygen trimer from pairwise additive interactions
Ramón Hernández-Lamoneda
,
Jesús Pérez-Ríos
,
Estela Carmona-Novillo
,
Massimiliano Bartolomei
,
José Campos-Martínez
,
Marta I. Hernández
Journal:
Chemical Physics
Year:
2012
Language:
english
File:
PDF, 371 KB
Your tags:
english, 2012
16
The effect of light-induced conical intersections on the alignment of diatomic molecules
Gábor J. Halász
,
Ágnes Vibók
,
Milan Šindelka
,
Lorenz S. Cederbaum
,
Nimrod Moiseyev
Journal:
Chemical Physics
Year:
2012
Language:
english
File:
PDF, 757 KB
Your tags:
english, 2012
17
Accurate measurement of the T-shaped and linear binding energies using vibronic-specific I2(B, ν) fragment velocity-map imaging
Jie Wei
,
Camille Makarem
,
Ashley L. Reinitz
,
Joshua P. Darr
,
Richard A. Loomis
Journal:
Chemical Physics
Year:
2012
Language:
english
File:
PDF, 748 KB
Your tags:
english, 2012
18
LiH−(2Σ+) attached to small clusters of 4He: A stochastic analysis
F. Marinetti
,
F.A. Gianturco
Journal:
Chemical Physics
Year:
2012
Language:
english
File:
PDF, 431 KB
Your tags:
english, 2012
19
Protonated salicylaldehyde: Electronic properties
Ivan Alata
,
Reza Omidyan
,
Michel Broquier
,
Claude Dedonder
,
Christophe Jouvet
Journal:
Chemical Physics
Year:
2012
Language:
english
File:
PDF, 613 KB
Your tags:
english, 2012
20
Scattering of a proton with the Li4 cluster: Non-adiabatic molecular dynamics description based on time-dependent density-functional theory
A. Castro
,
M. Isla
,
José I. Martínez
,
J.A. Alonso
Journal:
Chemical Physics
Year:
2012
Language:
english
File:
PDF, 566 KB
Your tags:
english, 2012
21
Theoretical study of the electronic structure of KLi molecule: Adiabatic and diabatic potential energy curves and dipole moments
Riadh Dardouri
,
Héla Habli
,
Brahim Oujia
,
Florent Xavier Gadéa
Journal:
Chemical Physics
Year:
2012
Language:
english
File:
PDF, 1.68 MB
Your tags:
english, 2012
22
Physisorption of helium on a TiO2(110) surface: Periodic and finite cluster approaches
María Pilar de Lara-Castells
,
Néstor F. Aguirre
,
Alexander O. Mitrushchenkov
Journal:
Chemical Physics
Year:
2012
Language:
english
File:
PDF, 1.20 MB
Your tags:
english, 2012
23
Investigating transition state resonances in the time domain by means of Bohmian mechanics: The F + HD reaction
A.S. Sanz
,
D. López-Durán
,
T. González-Lezana
Journal:
Chemical Physics
Year:
2012
Language:
english
File:
PDF, 2.59 MB
Your tags:
english, 2012
24
Classical photodissociation dynamics with Bohr quantization: Application to the fragmentation of a van der Waals cluster
W. Arbelo-González
,
L. Bonnet
,
P. Larrégaray
,
J.-C. Rayez
,
J. Rubayo-Soneira
Journal:
Chemical Physics
Year:
2012
Language:
english
File:
PDF, 321 KB
Your tags:
english, 2012
25
Propensities in the solvation of M+–Benzene systems (M = Na, K, Rb) investigated by cluster dynamics
M. Albertí
,
A. Aguilar
,
F. Pirani
Journal:
Chemical Physics
Year:
2012
Language:
english
File:
PDF, 429 KB
Your tags:
english, 2012
26
Non-linear vibrational modes in biomolecules: A periodic orbits description
Alexandros Kampanarakis
,
Stavros C. Farantos
,
Vangelis Daskalakis
,
Constantinos Varotsis
Journal:
Chemical Physics
Year:
2012
Language:
english
File:
PDF, 523 KB
Your tags:
english, 2012
27
On the electric dipole moments of small sodium clusters from different theoretical approaches
Andrés Aguado
,
Antonio Largo
,
Andrés Vega
,
Luis Carlos Balbás
Journal:
Chemical Physics
Year:
2012
Language:
english
File:
PDF, 316 KB
Your tags:
english, 2012
28
Benzene water interaction: From gaseous dimers to solvated aggregates
M. Albertí
,
N. Faginas Lago
,
F. Pirani
Journal:
Chemical Physics
Year:
2012
Language:
english
File:
PDF, 662 KB
Your tags:
english, 2012
29
Methane dissociation on Ni(1 1 1): Reaction probabilities using direct and initial state selected approaches
Marc Moix Teixidor
,
Fermin Huarte-Larrañaga
Journal:
Chemical Physics
Year:
2012
Language:
english
File:
PDF, 419 KB
Your tags:
english, 2012
30
Photofragment angular momentum polarization in the photolysis of symmetric top molecules: Production, detection, and rotational depolarization
Peter S. Shternin
,
Arthur G. Suits
,
Oleg S. Vasyutinskii
Journal:
Chemical Physics
Year:
2012
Language:
english
File:
PDF, 471 KB
Your tags:
english, 2012
31
Optical population of gerade and ungerade iodine ion-pair states via MI2 vdW complexes of valence states correlating with the third dissociation limit, M = I2, Xe
S.S. Lukashov
,
S.A. Poretsky
,
A.M. Pravilov
Journal:
Chemical Physics
Year:
2012
Language:
english
File:
PDF, 1.23 MB
Your tags:
english, 2012
32
A theoretical study on electronic predissociation in the NeBr2 van der Waals molecule
Ramón Hernández-Lamoneda
,
Cristina Sanz-Sanz
,
Octavio Roncero
,
Jordan M. Pio
,
Molly A. Taylor
,
Kenneth C. Janda
Journal:
Chemical Physics
Year:
2012
Language:
english
File:
PDF, 663 KB
Your tags:
english, 2012
33
Symmetry-adapted-cluster configuration-interaction and equation-of-motion coupled-cluster studies of electronically excited states of copper tetrachloride and copper tetrabromide dianions
Masahiro Ehara
,
Piotr Piecuch
,
Jesse J. Lutz
,
Jeffrey R. Gour
Journal:
Chemical Physics
Year:
2012
Language:
english
File:
PDF, 664 KB
Your tags:
english, 2012
34
New trends in atomic and molecular clusters (in honour of Gerardo Delgado-Barrio)
Pablo Villarreal
,
Salvador Miret-Artés
,
Octavio Roncero
,
José Campos-Martínez
Journal:
Chemical Physics
Year:
2012
Language:
english
File:
PDF, 221 KB
Your tags:
english, 2012
35
Ultrafast reorganization of the hole charge created upon outer-valence ionization of porphyrins
Alexander I. Kuleff
,
Siegfried Lünnemann
,
Lorenz S. Cederbaum
Journal:
Chemical Physics
Year:
2012
Language:
english
File:
PDF, 698 KB
Your tags:
english, 2012
36
Electrostatic hexapole state-selection of the asymmetric-top molecule propylene oxide: Rotational and orientational distributions
Dock-Chil Che
,
Keita Kanda
,
Federico Palazzetti
,
Vincenzo Aquilanti
,
Toshio Kasai
Journal:
Chemical Physics
Year:
2012
Language:
english
File:
PDF, 1.79 MB
Your tags:
english, 2012
37
Range effects of the Coulombic forces on structures, thermodynamic properties and potential energy landscapes: (KCl)32 and related systems
Chengju Wang
,
R. Stephen Berry
,
Julius Jellinek
Journal:
Chemical Physics
Year:
2012
Language:
english
File:
PDF, 1.73 MB
Your tags:
english, 2012
38
Energetics at extremes in Coulomb explosion of large finite systems
Isidore Last
,
Joshua Jortner
Journal:
Chemical Physics
Year:
2012
Language:
english
File:
PDF, 389 KB
Your tags:
english, 2012
39
IFC (Editorial Board)
Journal:
Chemical Physics
Year:
2012
Language:
english
File:
PDF, 32 KB
Your tags:
english, 2012
40
Contents
Journal:
Chemical Physics
Year:
2012
Language:
english
File:
PDF, 1.78 MB
Your tags:
english, 2012
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