Volume 399; Issue none

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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

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

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

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

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

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

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

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

english, 2012

9

Photodissociation of N2O: Temperature dependence

Journal:

Chemical Physics

Year:

2012

Language:

english

File:

PDF, 508 KB

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

english, 2012

39

IFC (Editorial Board)

Journal:

Chemical Physics

Year:

2012

Language:

english

File:

PDF, 32 KB

english, 2012

40

Contents

Journal:

Chemical Physics

Year:

2012

Language:

english

File:

PDF, 1.78 MB

english, 2012