화학공학소재연구정보센터

Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.118, No.33 Entire volume, number list
ISSN: 1089-5639 (Print) 

In this Issue (51 articles)

6299 - 6300 Quantum Molecular Processes Induced by Electrons, Positrons, Atoms, and Ions: From eV to Nano-eV
Villarreal P, Delgado-Barrio G
6301 - 6303 Learning New Things Often and All along the Way: A Personal Account of 50 Years in Science
Gianturco FA
6326 - 6332 Ab Initio Treatment of Ion-Induced Charge Transfer Dynamics of Isolated 2-Deoxy-D-ribose
Bacchus-Montabonel MC
6333 - 6342 Magnetizabilities of Diatomic and Linear Triatomic Molecules in a Time-Independent Nonuniform Magnetic Field
Provasi PF, Pagola GI, Ferraro MB, Pelloni S, Lazzeretti P
6343 - 6350 Ab Initio Potential Energy Curves for the Ground and Low-Lying Excited States of OH and OH- and a Study of Rotational Fine Structure in Photodetachment
Srivastava S, Sathyamurthy N
6351 - 6360 Highly Correlated Electronic Structure Calculations of the He-C-3 van der Waals Complex and Collision-Induced Rotational Transitions of C-3
Smith DGA, Patkowski K, Trinh D, Balakrishnan N, Lee TG, Forrey RC, Yang BH, Stancil PC
6361 - 6366 Dressed Adiabatic and Diabatic Potentials To Study Topological Effects for F + H-2
Csehi A, Bende A, Hallasz GJ, Vibok A, Das A, Mukhopadhyay D, Mukherjee S, Adhikari S, Baer M
6367 - 6384 Assessing the Performance of Dispersionless and Dispersion-Accounting Methods: Helium Interaction with Cluster Models of the TiO2(110) Surface
de Lara-Castells MP, Stoll H, Mitrushchenkov AO
6385 - 6394 Quantum Nuclear Extension of Electron Nuclear Dynamics on Folded Effective-Potential Surfaces
Hall B, Deumens E, Ohrn Y, Sabin JR
6395 - 6406 Effect of the Intermolecular Excitation in the Vibrational Predissociation Dynamics of van der Waals Complexes and the Implications for Control
Garcia-Vela A
6407 - 6415 Solvation of Intrinsic Positive Charge in Superfluid Helium
Mateo D, Eloranta J
6416 - 6424 The D+ + H-2 Reaction: Differential and Integral Cross Sections at Low Energy and Rate Constants at Low Temperature
Gonzalez-Lezana T, Scribano Y, Honvault P
6425 - 6434 Electronic States of Tetrahydrofurfuryl Alcohol (THFA) As Studied by VUV Spectroscopy and Ab Initio Calculations
Limao-Vieira P, Duflot D, Hubin-Franskin MJ, Delwiche J, Hoffmann SV, Chiari L, Jones DB, Brunger MJ, Lopes MCA
6435 - 6439 Some Useful Odds and Ends From the n-Electron Valence State Perturbation Theory
Angeli C, Cimiraglia R
6440 - 6450 Intermolecular Interaction in the H2S-H-2 Complex: Molecular Beam Scattering Experiments and Ab-Inito Calculations
Bartocci A, Cappelletti D, Pirani F, Tarantelli F, Belpassi L
6451 - 6456 Quantum Dynamics of the Reaction H(S-2) + HeH+(X-1 Sigma(+)) -> H-2(+)(X-2 Sigma(+)(g)) + He(S-1) from Cold to Hyperthermal Energies: Time-Dependent Wavepacket Study and Comparison with Time-Independent Calculations
Gamallo P, Akpinar S, Defazio P, Petrongolo C
6457 - 6465 Helium Isotope Enrichment by Resonant Tunneling through Nanoporous Graphene Bilayers
Mandra S, Schrier J, Ceotto M
6466 - 6472 Cross Sections for Positron Impact with 2,2,4-Trimethylpentane
Chiari L, Zecca A, Blanco F, Garcia G, Perkins MV, Buckman SJ, Brunger MJ
6473 - 6483 Exciplexes with Ionic Dopants: Stability, Structure, and Experimental Relevance of M+(P-2)He-4(n) (M = Sr, Ba)
Mella M, Cargnoni F
6484 - 6491 Excitation Energy Transfer in Donor-Bridge-Acceptor Systems: A Combined Quantum-Mechanical/Classical Analysis of the Role of the Bridge and the Solvent
Caprasecca S, Mennucci B
6492 - 6500 Energetics and Solvation Structure of a Dihalogen Dopant (I-2) in He-4 Clusters
de Tudela RP, Barragan P, Valdes A, Prosmiti R
6501 - 6506 Penning Ionization Electron Spectroscopy of Hydrogen Sulfide by Metastable Helium and Neon Atoms
Falcinelli S, Candori P, Bettoni M, Pirani F, Vecchiocattivi F
6507 - 6513 Anisotropy and Size Effects on the Optical Spectra of Polycyclic Aromatic Hydrocarbons
Cocchi C, Prezzi D, Ruini A, Caldas MJ, Molinari E
6514 - 6520 Photon Statistics of Resonance Fluorescence in the Limit of Separated Spectral Lines
Arnoldus HF, Battaglia F, George TF
6521 - 6528 The Structure of the Asymmetric Helium Trimer (HeHe2)-He-3-He-4
Bressanini D
6529 - 6535 Low-Temperature Rate Coefficients for Vibrational Relaxation of (3)Sigma(+)(u) Rb-2 Molecules by He-3 and He-4 Atoms
Viel A, Launay JM
6536 - 6541 Determination of the Resonance Energy and Width of the B-2(2g) Shape Resonance of Ethylene with the Method of Analytical Continuation in the Coupling Constant
Horacek J, Paidarova I, Curik R
6542 - 6546 Reactions in 1,1,1-Trifluoroacetone Triggered by Low Energy Electrons (0-10 eV): From Simple Bond Cleavages to Complex Unimolecular Reactions
Illenberger E, Meinke MC
6547 - 6552 Potassium-Uracil/Thymine Ring Cleavage Enhancement As Studied in Electron Transfer Experiments and Theoretical Calculations
Almeida D, Bacchus-Montabonel MC, da Silva FF, Garcia G, Limao-Vieira P
6553 - 6559 Electron Attachment to CO2 Embedded in Superfluid He Droplets
Postler J, Vizcaino V, Denifl S, Zappa F, Ralser S, Daxner M, Illenberger E, Scheier P
6560 - 6573 Application of Heisenberg's S Matrix Program to the Angular Scattering of the State-to-State F + H-2 Reaction
Shan X, Connor JNL
6574 - 6583 The Response of a He-3 Fermi Liquid Droplet to Vibronic Excitation of an Embedded Glyoxal Molecule
Benedek G, Hizhnyakov V, Toennies JP
6584 - 6594 Global ab Initio Potential Energy Surface for the O-2((3)Sigma(-)(g)) + N-2((1)Sigma(+)(g)) Interaction. Applications to the Collisional, Spectroscopic, and Thermodynamic Properties of the Complex
Bartolomei M, Carmona-Novillo E, Hernandez MI, Campos-Martinez J, Moszynski R
6595 - 6603 Adiabatic Potential Energy Surfaces for the Low-Energy Collisional Dynamics of C+(P-2) Ions with H-2 Molecules
Bonfanti M, Tantardini GF, Martinazzo R
6604 - 6614 Desorption Dynamics of Heavy Alkali Metal Atoms (Rb, Cs) Off the Surface of Helium Nanodroplets
von Vangerow J, Sieg A, Stienkemeier F, Mudrich M, Leal A, Mateo D, Hernando A, Barranco M, Pi M
6615 - 6621 Electric Field Structures in Thin Films: Formation and Properties
Cassidy A, Plekan O, Balog R, Dunger J, Field D, Jones NC
6622 - 6631 Solvation and Spectral Line Shifts of Chromium Atoms in Helium Droplets Based on a Density Functional Theory Approach
Ratschek M, Pototschnig JV, Hauser AW, Ernst WE
6632 - 6641 Theoretical Reaction Kinetics Astride the Transition between Moderate and Deep Tunneling Regimes: The F plus HD Case
Cavalli S, Aquilanti V, Mundim KC, De Fazio D
6642 - 6647 On the Formation of (Anionic) Excited Helium Dimers in Helium Droplets
Hubert SE, Mauracher A
6648 - 6656 Molecular Structure and Spectroscopic Signatures of Acrolein: Theory Meets Experiment
Puzzarini C, Penocchio E, Biczysko M, Barone V
6657 - 6663 Electron Scattering from Pyridine
Sieradzka A, Blanco F, Fuss MC, Masin Z, Gorfinkiel JD, Garcia G
6664 - 6673 Beryllium Dimer: A Bond Based on Non-Dynamical Correlation
El Khatib M, Bendazzoli GL, Evangelisti S, Helal W, Leininger T, Tenti L, Angeli C
6674 - 6684 Photoinduced Electron Transfer through Peptide-Based Self-Assembled Monolayers Chemisorbed on Gold Electrodes: Directing the Flow-in and Flow-out of Electrons through Peptide Helices
Venanzi M, Gatto E, Caruso M, Porchetta A, Formaggio F, Toniolo C
6685 - 6691 Molecular Dynamics Simulation of Self-Diffusion Processes in Titanium in Bulk Material, on Grain Junctions and on Surface
Sushko GB, Verkhovtsev AV, Yakubovich AV, Schramm S, Soov'yov AV
6692 - 6698 Photoelectron Interference in Metallocenes: A Probe of Geometrical and Electronic Structure
Ponzi A, Decleva P
6699 - 6704 Quantum Chemical Cluster Models for Chemi- and Physisorption of Chlorobenzene on Si(111)-7x7
Utecht M, Pan T, Klamroth T, Palmer RE
6705 - 6710 Upper Limits to the Reaction Rate Coefficients of C-n(-) and CnH- (n=2, 4, 6) with Molecular Hydrogen
Endres ES, Lakhmanskaya O, Hauser D, Huber SE, Best T, Kumar SS, Probst M, Wester R
6711 - 6720 Interaction of the Beryllium Cation with Molecular Hydrogen and Deuterium
Artiukhin DG, Klos J, Bieske EJ, Buchachenko AA
6721 - 6729 Electronic Dynamics by Ultrafast Pump Photoelectron Detachment Probed by Ionization: A Dynamical Simulation of Negative-Neutral-Positive in LiH-
Mignolet B, Levine RD, Remacle F
6730 - 6739 Approximate First-Principles Anharmonic Calculations of Polyatomic Spectra Using MP2 and B3LYP Potentials: Comparisons with Experiment
Roy TK, Carrington T, Gerber RB
6740 - 6740 Coupled 3D Time-Dependent Wave-Packet Approach in Hyperspherical Coordinates: Application to the Adiabatic Singlet-State (1(1)A') D+ + H-2 Reaction (vol 118, pg 4837, 2014)
Sahoo T, Ghosh S, Adhikari S, Sharma R, Varandas AJC