Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.113, No.52 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (146 articles)

14181 - 14181	His Arrows and His Targets: A Tribute to Vincenzo Aquilanti Casavecchia P, Vecchiocattivi F, Anderson RW, Kasai T
14184 - 14190	Vincenzo Aquilanti's Autobiography: A Narrative of My Voyages in Science Aquillanti V
14206 - 14211	Mass-Analyzed Threshold Ionization (MATI) Spectroscopy of Atoms and Molecules Using VUV Synchrotron Radiation Kostko O, Kim SK, Leone SR, Ahmed M
14212 - 14219	Quantum and Classical Fall of a Charged Particle onto a Stationary Dipolar Target Dashevskaya EI, Litvin I, Nikitin EE, Troe J
14220 - 14226	Phase Transitions in Metal Clusters and Cluster Catalysts Berry RS, Smirnov BM
14227 - 14230	Microwave Spectrum of [1,1]-Pyridine-Ne-2 Evangelisti L, Favero LB, Giuliano BM, Tang SY, Melandri S, Caminati W
14231 - 14236	Gas-Phase Geometry Optimization of Biological Molecules as a Reasonable Alternative to a Continuum Environment Description: Fact, Myth, or Fiction? Sousa SF, Fernandes PA, Ramos MJ
14237 - 14250	The Dynamics of the O(D-1) + HCl -> OH plus Cl Reaction at a 0.26 eV Collision Energy: A Comparison between Theory and Experiment Bargueno P, Jambrina PG, Alvarino JM, Hernandez ML, Aoiz FJ, Menendez M, Verdasco E, Gonzalez-Lezana T
14251 - 14254	Low-Energy Positron Scattering from Dihydropyran Zecca A, Chiari L, Nixon KL, Brunger MJ, Chattopadhyay S, Sanyal D, Chakrabarti M
14255 - 14260	Design of Infrared Laser Pulses for the Vibrational De-excitation of Translationally Cold Li-2 Molecules Ren QH, Balint-Kurti GG
14261 - 14269	Modeling CO and N-2 Adsorption at Cr Surface Species of Phillips Catalyst by Hybrid Density Functionals: Effect of Hartree-Fock Exchange Percentage Damin A, Vitillo JG, Ricchiardi G, Bordiga S, Lamberti C, Groppo E, Zecchina A
14270 - 14276	Mode Specificity in Reactions of Cl with CH2 Stretch-Excited CH2D2(v(1), v(6)=1) Riedel J, Yan SN, Liu KP
14277 - 14280	Pure Rotational Spectrum and Model Calculations of Anisole-Ammonia Giuliano BM, Maris A, Melandri S, Caminati W
14281 - 14290	Vector Correlation Analysis for Inelastic and Reactive Collisions between Partners Possessing Spin and Orbital Angular Momentum Balint-Kurti GG, Vasyutinskii OS
14291 - 14295	Interferences in the Transverse Profile of a Toluene Beam Induced by a Resonant RF Electric Field Morato M, Caceres JO, Gonzalvez AG, Urena AG
14296 - 14301	Electron Transfer Collisions with Oriented Trifluoroacetic Acid (CF3CO2H) Brooks PR
14302 - 14307	Spin-Polarized Density Functional Theory Study of Reactivity of Diatomic Molecule on Bimetallic System: The Case of O-2 Dissociative Adsorption on Pt Monolayer on Fe(001) Escano MCS, Nakanishi H, Kasai H
14308 - 14311	Hydrated Complexes of Atmospheric Interest: Rotational Spectrum of Diacetyl-Water Favero LB, Caminati W
14312 - 14320	Effect of the Total Angular Momentum on the Dynamics of the H-2 + H-2 System Garcia E, Saracibar A, Sanchez C, Lagana A
14321 - 14328	High-Level ab Initio Predictions for the Ionization Energy, Bond Dissociation Energies, and Heats of Formations of Iron Carbide (FeC) and Its Cation (FeC+) Lau KC, Chang YC, Lam CS, Ng CY
14329 - 14335	Role of Intramolecular and Intermolecular Hydrogen Bonding in Both Singlet and Triplet Excited States of Aminofluorenones on Internal Conversion, Intersystem Crossing, and Twisted Intramolecular Charge Transfer Zhao GJ, Han KL
14336 - 14342	A Computational Investigation of the Multiple Channels of the NF2 + F Reaction Ramalho SS, Barreto PRP, Martins JBL, Silva GME, Gargano R
14343 - 14351	The Gas Phase Anisole Dimer: A Combined High-Resolution Spectroscopy and Computational Study of a Stacked Molecular System Pietraperzia G, Pasquini M, Schiccheri N, Piani G, Becucci M, Castellucci E, Biczysko M, Bloino J, Barone V
14352 - 14363	Phase Space Theory of Evaporation in Neon Clusters: The Role of Quantum Effects Calvo F, Parneix P
14364 - 14374	Theoretical Modeling of Laser Ablation of Quaternary Bronze Alloys: Case Studies Comparing Femtosecond and Nanosecond LIBS Experimental Data Fornarini L, Fantoni R, Colao F, Santagata A, Teghil R, Elhassan A, Harith MA
14375 - 14388	Silylene Defect at the Dihydrogen Terminated (100) Si Surface Belanzoni P, Giorgi G, Sgamellotti A, Cerofolini GF
14389 - 14398	Collisional Quenching of Excited Electronic Species and the Parmenter et al. Correlation Xuan CN
14399 - 14406	On the Local Relaxation of Solid Neon upon Rydberg Excitation of a NO Impurity: The Role of the NO(A)-Ne Interaction Potential and Zero-Point Quantum Delocalization Pajon-Suarez P, Rojas-Lorenzo GA, Rubayo-Soneira J, Hernandez-Lamoneda R, Larregaray P
14407 - 14414	Anharmonic Franck-Condon Simulation of the Absorption and Fluorescence Spectra for the Low-Lying S-1 and S-2 Excited States of Pyridine Wang H, Zhu CY, Yu JG, Lin SH
14415 - 14419	Optimized GGA Functional for Proton Transfer Reactions Tognetti V, Adamo C
14420 - 14423	Experimental and Theoretical Evidence for HS4 de Petris G, Cartoni A, Cipollini R, Rosi M, Troiani A
14424 - 14430	Accurate Double Many-Body Expansion Potential Energy Surface for N-3((4)A") from Correlation Scaled ab Initio Energies with Extrapolation to the Complete Basis Set Limit Galvao BRL, Varandas AJC
14431 - 14438	Interaction Potentials, Spectroscopy, and Transport Properties of the Br+-RG Systems (RG = He-Ar) Buchachenko AA, Wright TG, Lee EPF, Viehland LA
14439 - 14446	Study of KrO- and KrO via Slow Photoelectron Velocity-Map Imaging Spectroscopy and ab Initio Calculations Garand E, Buchachenko AA, Yacovitch TI, Szczesniak MM, Chalasinski G, Neumark DM
14447 - 14457	Dynamics of the Reactions of C(P-3(J)) Atoms with Ethylene, Allene, and Methylacetylene at Low Energy Revealed by Doppler-Fizeau Spectroscopy Naulin C, Daugey N, Hickson KM, Costest M
14458 - 14464	Relaxation of NH(a(1)Delta, v=1) in Collisions with H(S-2): An Experimental and Theoretical Study Defazio P, Petrongolo C, McBane GC, Adam L, Hack W, Akpinar S, Schinke R
14465 - 14479	Induced Orbital Paramagnetism and Paratropism in Closed-Shell Molecules Pelloni S, Lazzeretti P, Zanasi R
14480 - 14487	Inelastic Scattering of the NCO(X-2 Pi) Radical with the He Atom on an Ab Initio Potential Energy Surface Klos J, Tobola R, Chalasinski G
14488 - 14501	Differential Cross Sections and Product Rotational Polarization in A plus BC Reactions Using Wave Packet Methods: H+ + D-2 and Li + HF Examples Zanchet A, Roncero O, Gonzalez-Lezana T, Rodriguez-Lopez A, Aguado A, Sanz-Sanz C, Gomez-Carrasco S
14502 - 14513	Typicality in Ensembles of Quantum States: Monte Carlo Sampling versus Analytical Approximations Fresch B, Moro GJ
14514 - 14520	Photophysical Properties of Quinolizinium Salts and Their Interactions with DNA in Aqueous Solution Barbafina A, Amelia M, Latterini L, Aloisi GG, Elisei F
14521 - 14529	Competition between Photoisomerization and Photocyclization of the Cis Isomers of n-Styrylnaphthalenes and -Phenanthrenes Mazzucato U, Spalletti A
14530 - 14535	Extrapolation to the Complete Basis Set Limit of Structural Parameters: Comparison of Different Approaches Puzzarini C
14536 - 14544	Super-Resolution Photoelectron Imaging with Real-Time Subpixelation by Field Programmable Gate Array and Its Application to NO and Benzene Photoionization Ogi Y, Kohguchi H, Niu D, Ohshimo K, Suzuki T
14545 - 14553	Quantum Dynamics of the Eley-Rideal Hydrogen Formation Reaction on Graphite at Typical Interstellar Cloud Conditions Casolo S, Martinazzo R, Bonfanti M, Tantardini GF
14554 - 14558	New Insights on the Photodissociation of N-Methylpyrrole: The Role of Stereoelectronic Effects Piani G, Rubio-Lago L, Collier MA, Kitsopoulos TN, Becucci M
14559 - 14564	Outer Valence Ionic States of Cr(CO)(6) and (eta(5)-C5H5)Co(CO)(2) Observed by Two-Dimensional Penning Ionization Electron Spectroscopy Kishimoto N, Ohno K
14565 - 14572	Can Coulomb Sturmians Be Used as a Basis for N-Electron Molecular Calculations? Avery J, Avery J
14573 - 14582	Theory of Hyperspherical Sturmians for Three-Body Reactions Gasaneo G, Mitnik DM, Frapiccini AL, Colavecchia FD, Randazzo JM
14583 - 14590	Photoinduced Processes in Hydrogen Bonded System: Photodissociation of Imidazole Clusters Poterya V, Profant V, Farnik M, Sistik L, Slavicek P, Buck U
14591 - 14594	Theoretical Temperature Dependence of the Charge-Carrier Mobility in Semiconducting Polymers Roncaratti LF, Gargano R, Silva GME
14595 - 14605	Theoretical Study of Imidazole center dot center dot center dot NO Complexes Crespo-Otero R, Bravo-Rodriguez K, Suardiaz R, Montero LA, de la Vega JMG
14606 - 14614	Atom-Bond Pairwise Additive Representation for Halide-Benzene Potential Energy Surfaces: an Ab Initio Validation Study Alberti M, Aguilar A, Lucas JM, Pirani F, Coletti C, Re N
14615 - 14624	Ab initio Study of HZnF Hayashi S, Leonard C, Chambaud G
14625 - 14629	Gas-Phase Enantioselectivity of Chiral N-Linked Peptidoresorc[4]arene Isomers toward Dipeptides Botta B, Fraschetti C, D'Acquarica I, Speranza M, Novara FR, Mattay J, Letzel MC
14630 - 14635	Vertical Ionization Energies of Adenine and 9-Methyl Adenine Dolgounitcheva O, Zakrzewski VG, Ortiz JV
14636 - 14649	Inelastic Scattering of He Atoms and NO(X-2 Pi) Molecules: The Role of Parity on the Differential Cross Section Aoiz FJ, Verdasco JE, Brouard M, Klos J, Marinakis S, Stolte S
14650 - 14656	Study of the Photobehavior of a Newly Synthesized Chiroptical Molecule: (E)-(R-p,R-p)-1,2-Bis{4-methyl-[2]paracyclo[2](5,8)quinolinophan-2-yl}et hene Gentili PL, Bussotti L, Ruzziconi R, Spizzichino S, Foggi P
14657 - 14663	Quantum Mechanical Wave Packet and Quasiclassical Trajectory Calculations for the Li + H-2(+) Reaction Bulut N, Castillo JF, Banares L, Aoiz FJ
14664 - 14669	Dissociation Rate Constant of the Hydrogen Fluoride Dimer by the ab Initio Anharmonic RRKM Theory Yao L, Mebel AM, Lin SH
14670 - 14680	Cold Collisions of OH((2)Pi) Molecules with He Atoms in External Fields Pavlovic Z, Tscherbul TV, Sadeghpour HR, Groenenboom GC, Daigarno A
14681 - 14683	Conformational Study of Taurine in the Gas Phase Cortijo V, Sanz ME, Lopez JC, Alonso JL
14684 - 14690	Electronic Excitation of Cl- in Liquid Water and at the Surface of a Cluster: A Sequential Born-Oppenheimer Molecular Dynamics/Quantum Mechanics Approach Galamba N, Mata RA, Cabral BJC
14691 - 14698	Calculation of MP2 and Coupled-Cluster Molecular Properties Using the q-Integral Method de Oliveira HCB, Rangel FC, Esteves CS, Vieira FMC, Mundim KC
14699 - 14705	Activation of Ethane C-H and C-C Bonds by Gas Phase Th+ and U+: A Theoretical Study Di Santo E, Michelini MC, Russo N
14706 - 14710	Mixed Valence Character of Anionic Linear Beryllium Chains: A CAS-SCF and MR-CI Study Pastore M, Monari A, Evangelisti S, Leininger T
14711 - 14717	Combined Experimental and Theoretical Study on Hydrogen-Bonded Complexes between Cyclic Ketones, Lactones, and Lactams with 3,4-Dinitrophenol Esseffar M, El Firdoussi A, Bouab W, Abboud JLM, Mo O, Yanez M
14718 - 14729	Structuring a Quantum Solvent around a Weakly Bound Dopant: The He-CS2((3)Sigma u) Complex Prosmiti R, Delgado-Barrio G, Villarreal P, Yurtsever E, Coccia E, Gianturco FA
14730 - 14740	Self-Assembled Monolayers Based on Pd-Containing Organometallic Thiols: Preparation and Structural Characterization Vitaliano R, Fratoddi I, Venditti I, Roviello G, Battocchio C, Polzonetti G, Russo MV
14741 - 14748	Cation-pi-Anion Interaction in Alkali Ion-Benzene-Halogen Ion Clusters Alberti M, Aguilar A, Pirani F
14749 - 14754	Steric Effects in the Scattering of Oriented CH3Cl Molecular Beam from a Graphite Surface: Weak Interaction of Physisorption Fukuyama T, Okada M, Kasai T
14755 - 14759	Double Photoionization of CO2 Molecules in the 34-50 eV Energy Range Alagia M, Candori P, Fallcinelli S, Lavollee M, Pirani F, Richter R, Stranges S, Vecchiocattivi F
14760 - 14765	Covalent vs Electrostatic Interactions in Rare Earth Systems: A Comparative Study of U(III), U(IV), and U(V) and Nd(III) Bonding Properties by DFT and CAS-PT2 Approaches Vetere V, Maldivi P, Roos BO, Adamo C
14766 - 14773	Guided-Ion-Beam and ab Initio Study of the Li+, K+, and Rb+ Association Reactions with Gas-Phase Butanone and Cyclohexanone in Their Ground Electronic States Lucas JM, de Andres J, Lopez E, Alberti M, Bofill JM, Bassi D, Ascenzi D, Tosi P, Aguilar A
14774 - 14784	Structure versus Solvent Effects on Nonlinear Optical Properties of Push-Pull Systems: A Quantum-Mechanical Study Based on a Polarizable Continuum Model Corozzi A, Mennucci B, Cammi R, Tomasi J
14785 - 14790	Atomic Alignment Effects for the Formation of Excimers RgX* (B, C) in the Reaction of Oriented Rg (P-3(2), M-J=2) (Rg = Xe, Kr, Ar) plus Halogen(X)-Containing Molecules Ohoyama H, Yasuda K, Kasai T
14791 - 14799	Energy and Density Analyses of the (1)Sigma(+)(u) States in the H-2 Molecule from the United Atom to Dissociation Corongiu G, Clementi E
14800 - 14806	Differential Cross Sections for Rotational Excitation of ND3 by Ne Kay JJ, van de Meerakker SYT, Wade EA, Strecker KE, Chandler DW
14807 - 14812	Quantum Stereodynamics for the Two Product Channels of the F plus HD Reaction from the Complete Scattering Matrix in the Stereodirected Representation Skouteris D, De Fazio D, Cavalli S, Aquilanti V
14813 - 14817	In Silico Characterization of a Fourfold Magnesium Organometallic Compound in PTCDA Thin Films Zazza C, Sanna N, Palma A
14818 - 14823	Theoretical Study of CH4-CH4, CHF3-CH4, CH4-H2O, and CHF3-H2O Dimers Martins JBL, Politi JRS, Garcia E, Vilela AFA, Gargano R
14824 - 14830	Dynamics of the O plus CN Reaction and N plus CO Scattering on Two Coupled Surfaces Abrahamsson E, Andersson S, Markovic N, Nyman G
14831 - 14837	Photoelectron Spectrum of Ammonia, a Test Case for the Calculation of Franck-Condon Factors in Molecules Undergoing Large Geometrical Displacements upon Photoionization Peluso A, Borrelli R, Capobianco A
14838 - 14844	Correlations between Survival Probabilities and Ionization Energies of Slow Ions Colliding with Room-Temperature and Heated Surfaces of Carbon, Tungsten, and Beryllium Herman Z, Zabka J, Pysanenko A
14845 - 14850	Influence of Internal Rotation on Exothermic Reactions between Neutral Molecules at Low Temperatures McCarroll R
14851 - 14859	Electronic and Vibrational Circular Dichroism Spectra of Chiral 4-X-[2.2]paracyclophanes with X Containing Fluorine Atoms Abbate S, Lebon F, Gangemi R, Longhi G, Spizzichino S, Ruzziconi R
14860 - 14866	Adsorption and Diffusion of Fe on a Titania Ultrathin Film Barcaro G, Fortunelli A
14867 - 14874	A Bond-Bond Description of the Intermolecular Interaction Energy: The Case of the Weakly Bound Acetylene-Hydrogen Complex Thibault F, Cappelletti D, Pirani F, Bartolomei M
14875 - 14886	Quantum Zeno Effect in a Model Multilevel Molecule Bruno D, Facchi P, Longo S, Minelli P, Pascazio S, Scardicchio A
14887 - 14895	Photophysical Properties of 1,3,5-Tris(2-naphthyl)benzene and Related Less-Arylated Compounds: Experimental and Theoretical Investigations Bocchinfuso G, Mazzuca C, Palleschi A, Pizzoferrato R, Tagliatesta P
14896 - 14903	Vibrational Bound States of the He2Ne+ Cation Zuniga J, Bastida A, Requena A, Halberstadt N, Beswick JA, Janda KC
14904 - 14922	Uniform Semiclassical Approximation for the Wigner 6j-Symbol in Terms of Rotation Matrices Littlejohn RG, Yu L
14923 - 14929	Temperature Effects on the Dissociative Electron Attachment to Dichlorobenzene Isomers Mahmoodi-Darian M, Mauracher A, Aleem A, Denifl S, Rittenschober B, Bacher A, Probst M, Mark TD, Scheier P
14930 - 14935	Solvent-Induced Stereochemical Behavior of a Bile Acid-Based Biphenyl Phosphite: A Computational Study Cimoli A, Prampolini G, Tani A
14936 - 14942	NMR Chemical Shielding and Spin-Spin Coupling Constants of Liquid NH3: A Systematic Investigation using the Sequential QM/MM Method Gester RM, Georg HC, Canuto S, Caputo MC, Provasi PF
14943 - 14951	Single-Parameter Quantification of the Sensitivity of a Molecular Collision to Molecular Polarization de Miranda MP, Kendrick BK
14952 - 14960	Qantum-Mechanical Study of the Collision Dynamics of O-2((3)Sigma(-)(g)) + O-2((3)Sigma(-)(g)) on a New ab Initio Potential Energy Surface Perez-Rios J, Bartolomei M, Campos-Martinez J, Hernandez MI, Hernandez-Lamoneda R
14961 - 14968	Si(P-3) + OH(X-2 Pi) Interaction: Long-Range Multipolar Potentials of the Eighteen Spin-Orbit States Bussery-Honvault B, Dayou F
14969 - 14974	Nanoparticles and Thin Film Formation in Ultrashort Pulsed Laser Deposition of Vanadium Oxide Teghil R, D'Alessio L, De Bonis A, Galasso A, Ibris N, Salvi AM, Santagata A, Villani P
14975 - 14978	Molecular Dynamics Investigation of Charge Carrier Density Influence over Mobility in Conjugated Polymers Neto PHD, da Cunha WF, Gargano R, Silva GME
14979 - 14986	Eigen Energies and the Statistical Distributions of the Rovibrational Levels of the Bosonic van der Waals Argon Trimer Gagin A, Yarevsky E, Salci M, Elander N
14987 - 14994	355 nm Multiphoton Dissociation and Ionization of 2, 5-Dihydroxyacetophenone Dyakov YA, Tsai ST, Bagchi A, Tseng CM, Lee YT, Ni CK
14995 - 15005	Photodissociation Imaging of Diatomic Sulfur (S2) Frederix PWJM, Yang CH, Groenenboom GC, Parker DH, Alnama K, Western CM, Orr-Ewing AJ
15006 - 15015	TS-1 from First Principles Gamba A, Tabacchi G, Fois E
15016 - 15023	Collective Coordinate Description of Anisotropically Trapped Degenerate Fermi Gases Rittenhouse ST, Cavagnero MJ, Greene CH
15024 - 15030	Bohmian Total Potential View to Quantum Effects III. Tunnelling in Phase Space Gonzalez MF, Bofill JM, Gimenez X
15031 - 15040	Theoretical and Experimental Study of Negative LiF Clusters Produced by Fast Ion Impact on a Polycrystalline (LiF)-Li-7 Target Fernandez-Lima FA, Neto OPV, Pimentel AS, Pacheco MAC, Ponciano CR, Nascimento MAC, da Silveira EF
15041 - 15046	Spin Contamination Error in Optimized Geometry of Singlet Carbene ((1)A(1)) by Broken-Symmetry Method Kitagawa Y, Saito T, Nakanishi Y, Kataoka Y, Matsui T, Kawakami T, Okumura M, Yamaguchi K
15047 - 15054	Potential Energy Surface for the H2O-H-2 System Barreto PRP, Ribas VW, Palazzetti F
15055 - 15063	Model Analysis of Rotationally Inelastic Ar + H2O Scattering in an Electric Field Lemeshko M, Friedrich B
15064 - 15077	A Computational Study of the Effects of Different Solvents on the Characteristics of the Intramolecular Hydrogen Bond in Acylphloroglucinols Mammino L, Kabanda MM
15078 - 15084	Two-Particle Coulomb Green Function Method with Projected Potential: Application to He Double Photoionization Argenti L, Colle R
15085 - 15091	Near Resonance Charge Exchange in Ion-Atom Collisions of Lithium Isotopes Zhang P, Bodo E, Dalgarno A
15092 - 15099	Scattering of Hyperthermal Nitrogen Atoms from the Ag(111) Surface Ueta H, Gleeson MA, Kleyn AW
15100 - 15105	Tetrahedral Ordering in Water: Raman Profiles and Their Temperature Dependence Paolantoni M, Lago NF, Alberti M, Lagana A
15106 - 15117	3nj Morphogenesis and Semiclassical Disentangling Anderson RW, Aquilanti V, Marzuoli A
15118 - 15126	Absorption and Emission of the Apigenin and Luteolin Flavonoids: A TDDFT Investigation Amat A, Clementi C, De Angelis F, Sgamellotti A, Fantacci S
15127 - 15135	Enantioselective HF Loss Promoted by Resonant Two-Photon Ionization of Supersonically Expanded (R)-1-Phenyl-2,2,2-trifluoroethanol Clusters Giardini A, Rondino F, Paladini A, Speranza M, Satta M, Piccirillo S
15136 - 15141	The OCS S L3MM Auger Spectrum and Angular Distributions Studied by Photoelectron-Auger Electron Coincidence Experiments Bolognesi P, O'Keeffe P, Avaldi L
15142 - 15149	Theoretical and Experimental Study of Valence-Shell Ionization Spectra of Guanine Zaytseva IL, Trofimov AB, Schirmer J, Plekan O, Feyer V, Richter R, Coreno M, Prince KC
15150 - 15155	Magnetic Interactions in Phenyl-Bridged Nitroxide Diradicals: Conformational Effects by Multireference and Broken Symmetry DFT Approaches Barone V, Cacelli I, Cimino P, Ferretti A, Monti S, Prampolini G
15156 - 15170	Elastic Depolarization of OH(A) by He and Ar: A Comparative Study Costen ML, Livingstone R, McKendrick KG, Paterson G, Brouard M, Chadwick H, Chang YP, Eyles CJ, Aoiz FJ, Klos J
15171 - 15187	Theoretical Investigation of Thermal Decomposition of Peroxidized Coelenterazines with and without External Perturbations Isobe H, Yamanaka S, Okumura M, Yamaguchi K
15188 - 15192	Scattering of Slow Metastable Argon Atoms by Dielectric Nanospheres Baudon J, Hamamda M, Grucker J, Perales F, Dutier G, Ducloy M, Bocvarski V
15193 - 15197	Experimental and Theoretical Investigation of the Pyrrole/Al(100) Interface Ruocco A, Chiodo L, Sforzini M, Palummo M, Monachesi P, Stefani G
15198 - 15205	Solvation Dynamics and Adsorption on Ag Hydrosols of Oxazole: A Raman and Computational Study Pagliai M, Muniz-Miranda M, Cardini G, Schettino V
15206 - 15216	Antioxidant Properties of Pterocarpans through Their Copper(II) Coordination Ability. A DFT Study in Vacuo and in Aqueous Solution Alagona G, Ghio C
15217 - 15222	Kinetics of Oxygen Adsorption and Initial Oxidation on Cu(110) by Hyperthermal Oxygen Molecular Beams Moritani K, Okada M, Teraoka Y, Yoshigoe A, Kasai T
15223 - 15232	Molecular-Beam Scattering Experiments and Theoretical Calculations Probing Charge Transfer in Weakly Bound Complexes of Water Roncaratti LF, Belpassi L, Cappelletti D, Pirani F, Tarantelli F
15233 - 15239	Vibrational-Rotational Energy Distributions in the Reaction O- + D-2 -> OD + D- Li Y, Liu L, Farrar JM
15240 - 15249	Electron-Wavepacket Reaction Dynamics in Proton Transfer of Formamide Nagashima K, Takatsuka K
15250 - 15256	Collision Integrals for Interactions Involving Atoms in Electronically Excited States Laricchiuta A, Pirani F, Colonna G, Bruno D, Gorse C, Celiberto R, Capitelli M
15257 - 15264	Supersymmetric Quantum Mechanics, Excited State Energies and Wave Functions, and the Rayleigh-Ritz Variational Principle: A Proof of Principle Study Kouri DJ, Markovich T, Maxwell N, Bittner ER
15265 - 15275	Revealing Excited State Interactions by Quantum-Chemical Modeling of Vibronic Activities: The R2PI Spectrum of Adenine Conti I, Di Donato E, Negri F, Orlandi G
15276 - 15280	Supersymmetric Approach to Excited States Bittner ER, Maddox JB, Kouri DJ
15281 - 15297	Symmetry and Broken-Symmetry in Molecular Orbital Descriptions of Unstable Molecules. 3. The Nature of Chemical Bonds of Spin Frustrated Systems Kawakami T, Takeda R, Nishihara S, Saito T, Shoji M, Yamada S, Yamanaka S, Kitagawa Y, Okumura M, Yamaguchi K
15298 - 15306	A New Rainbow: Angular Scattering of the F + H-2(nu(i)=0, j(i)=0) -> FH(nu(f)=3, j(f)=3) + H Reaction Xiahou CK, Connor JNL
15307 - 15314	Selective Vibrational Pumping of Molecular Hydrogen via Gas Phase Atomic Recombination Esposito F, Capitelli M
15315 - 15319	Roaming Dynamics in Formaldehyde-d(2) Dissociation Goncharov V, Lahankar SA, Farnum JD, Bowman JM, Suits AG
15320 - 15327	Photon and Electron Spins Wittig C
15328 - 15345	Crossed-Beam Dynamics, Low-Temperature Kinetics, and Theoretical Studies of the Reaction S(D-1) + C2H4 Leonori F, Petrucci R, Balucani N, Casavecchia P, Rosi M, Skouteris D, Berteloite C, Le Picard SD, Canosa A, Sims IR
15346 - 15354	Vibronic Model for the Quantum Dynamical Study of the Competition between Bright and Charge-Transfer Excited States in Single-Strand Polynucleotides: The Adenine Dimer Case Improta R, Santoro F, Barone V, Lami A
15355 - 15365	Orthogonal Coordinates and Hyperquantization Algorithm. The NH3 and H3O+ Umbrella Inversion Levels Ragni M, Lombardi A, Barreto PRP, Bitencourt ACP
15366 - 15375	Oxygen Adsorption on beta-Cristobalite Polymorph: Ab Initio Modeling and Semiclassical Time-Dependent Dynamics Rutigliano M, Zazza C, Sanna N, Pieretti A, Mancini G, Barone V, Cacciatore M
15376 - 15383	Quantum Tetrahedra Carfora M, Marzuoli A, Rasetti M
15384 - 15410	Analytical Derivation of Row-Orthonormal Hyperspherical Harmonics for Triatomic Systems Wang DS, Kuppermann A