Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.113, No.16 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (132 articles)

3709 - 3709	Tribute to George C. Schatz Ratner MA, Van Duyne RP, Jensen L, Troya D
3711 - 3716	Autobiography of George C. Schatz Schatz GC
3737 - 3743	Ultrafast FRET in a Room Temperature Ionic Liquid Microemulsion: A Femtosecond Excitation Wavelength Dependence Study Adhikari A, Das DK, Sasmal DK, Bhattacharyya K
3744 - 3749	Structure and Stability of Water Chains (H2O)(n), n=5-20 Parthasarathi R, Elango M, Subramanian V, Sathyamurthy N
3750 - 3757	Active Sites for H-2 Adsorption and Activation in Au/TiO2 and the Role of the Support Boronat M, Illas F, Corma A
3758 - 3764	Time-Resolved Studies of the Reactions of CN Radical Complexes with Alkanes, Alcohols, and Chloroalkanes Crowther AC, Carrier SL, Preston TJ, Crim FF
3765 - 3772	Substrate Driven Photochemistry of CdSe Quantum Dot Films: Charge Injection and Irreversible Transformations on Oxide Surfaces Tvrdy K, Kamat PV
3773 - 3778	Imaging Studies of the Photodissociation of NH3+ and ND3+ Cations Webb AD, Nahler NH, Ashfold MNR
3779 - 3782	Nanoscale Molecular Transport: The Case of Dip-Pen Nanolithography Giam LR, Wang YH, Mirkin CA
3783 - 3788	Silver Cluster Chromophores for Absorption Enhancement of Peptides Kulesza A, Mitric R, Bonacic-Koutecky V
3789 - 3798	Quantum Dynamics of the Vibrations of Helium Bound to the Nanosurface of a Large Planar Organic Molecule: Phthalocyanine center dot He van der Waals Complex Gibbons BR, Xu MZ, Bacic Z
3799 - 3803	Mechanism of the Cooperative Adsorption of Oppositely Charged Nanoparticles Tretiakov KV, Bishop KJM, Kowalczyk B, Jaiswal A, Poggi MA, Grzybowski BA
3804 - 3813	Intramolecular Dynamics of RS-SR' Systems (R, R' = H, F, Cl, CH3, C-2 H-5): Torsional Potentials, Energy Levels, Partition Functions Aquillanti V, Ragni M, Bitencourt ACP, Maciel GS, Prudente FV
3814 - 3821	Free Energy Barrier Estimation for the Dissociation of Charged Protein Complexes in the Gas Phase Wanasundara SN, Thachuk M
3822 - 3829	Ion Dissociation of Hydrazoic Acid Investigated by Synchrotron-Radiation-Based Photoionization Mass Spectrometry Quinto-Hernandez A, Wodtke AM, Lee YY, Huang TP, Pan WC, Lin JJM
3830 - 3839	Synthesis, Structural, and Optical Properties of Stable ZnS:Cu,Cl Nanocrystals Corrado C, Jiang Y, Oba F, Kozina M, Bridges F, Zhang JZ
3840 - 3843	Masked Velocity Map Imaging: A One-Laser-Beam Doppler-Free Spectroscopic Technique Goncharov V, Herath N, Arregui A, Banares L, Suits AG
3844 - 3849	Theoretical Study of the Reaction of CH3 with HOCO Radicals Yu HG, Francisco JS
3850 - 3865	Dynamics of CO2 Scattering off a Perfluorinated Self-Assembled Monolayer. Influence of the Incident Collision Energy, Mass Effects, and Use of Different Surface Models Nogueira JJ, Vazquez SA, Mazyar OA, Hase WL, Perkins BG, Nesbitt DJ, Martinez-Nunez E
3866 - 3875	Probing the Electronic and Structural Properties of the Niobium Trimer Cluster and Its Mono- and Dioxides: Nb3On- and Nb3On (n=0-2) Zhai HJ, Wang B, Huang X, Wang LS
3876 - 3880	Strong Conductance Variation in Conformationally Constrained Oligosilane Tunnel Junctions George CB, Ratner MA, Lambert JB
3881 - 3885	Photodissociation Dynamics of N-Methylindole, N-Methylpyrrole, and Anisole Tseng CM, Lee YT, Ni CK
3886 - 3894	Femtosecond TRIR Studies of ClNO Photochemistry in Solution: Evidence for Photoisomerization and Geminate Recombination Bixby TJ, Patterson JD, Reid PJ
3895 - 3903	Self-Assembled Monolayers of 2-Adamantanethiol on Au{111}: Control of Structure and Displacement Kim M, Hohman JN, Morin EI, Daniel TA, Weiss PS
3904 - 3910	Self-Diffusion Studies of Binary Mixtures in NaX Zeolites Using Pulsed Field Gradient NMR and a Maxwell-Stefan Model Zhao Q, Snurr RQ
3911 - 3921	Effects of Bending and Bending Angular Momentum on Reaction of NO2+ with C2H2: A Quasi-Classical Trajectory Study Boyle JM, Liu J, Anderson SL
3922 - 3931	Experimental and Theoretical Study of Rotationally Inelastic Collisions of CN(A(2)Pi) with N-2 Khachatrian A, Dagdigian PJ, Bennett DIG, Lique F, Klos J, Alexander MH
3932 - 3939	Surface-Enhanced Raman Scattering: Comparison of Three Different Molecules on Single-Crystal Nanocubes and Nanospheres of Silver Rycenga M, Kim MH, Camargo PHC, Cobley C, Li ZY, Xia YN
3940 - 3945	Anharmonic Rovibrational Numbers and Densities of States for HO2, H2CO, and H2O2 Troe J, Ushakov VG
3946 - 3954	Thermal Chemistry of Tetrakis(ethylmethylamido)titanium on Si(100) Surfaces Kan BC, Boo JH, Lee I, Zaera F
3955 - 3962	Fluctuations at the Base Pair Level Effecting Charge Transfer in DNA Mallajosyula SS, Gupta A, Pati SK
3963 - 3972	Optical-Feedback Cavity Ring-Down Spectroscopy Measurements of Extinction by Aerosol Particles Butler TJA, Mellon D, Kim J, Litman J, Orr-Ewing AJ
3973 - 3978	Surface-Coverage Dependence of Surface-Enhanced Raman Scattering from Gold Nanocubes on Self-Assembled Monolayers of Analyte Sisco PN, Murphy CJ
3979 - 3987	Locally Optimized Coordinates in Modified Shepard Interpolation Evenhuis CR, Collins MA
3988 - 3996	Three-Body Dissociative Charge Exchange Dynamics of sym-Triazine Savee JD, Mann JE, Continetti RE
3997 - 4003	Spin Vortices in Cuprate Superconductors: Fictitious Magnetic Field, Fictitious Electric Field, and Persistent Current Koizumi H
4004 - 4008	Calculation of the Positron Annihilation Rate in PsH with the Positronic Extension of the Explicitly Correlated Nuclear-Electronic Orbital Method Pak MV, Chakraborty A, Hammes-Schiffer S
4009 - 4014	Computational and Experimental Evaluation of Nanoparticle Coupling Shuford KL, Meyer KA, Li CC, Cho SO, Whitten WB, Shaw RW
4015 - 4021	Electron Transport in Dye-Sensitized Solar Cells Based on ZnO Nanotubes: Evidence for Highly Efficient Charge Collection and Exceptionally Rapid Dynamics Martinson ABF, Goes MS, Fabregat-Santiago F, Bisquert J, Pellin MJ, Hupp JT
4022 - 4027	Benchmarking Polarizable Molecular Dynamics Simulations of Aqueous Sodium Hydroxide by Diffraction Measurements Vacha R, Megyes T, Bako I, Pusztai L, Jungwirth P
4028 - 4034	Fano Resonances in Plasmonic Nanoparticle Aggregates Mirin NA, Bao K, Nordlander P
4035 - 4044	Imaging with Mass Spectrometry: A Secondary Ion and VUV-Photoionization Study of Ion-Sputtered Atoms and Clusters from GaAs and Au Takahashi LK, Zhou J, Wilson KR, Leone SR, Ahmed M
4045 - 4059	A Tale of Tails: How Histone Tails Mediate Chromatin Compaction in Different Salt and Linker Histone Environments Arya G, Schlick T
4060 - 4067	Hydrogenase/Ferredoxin Charge-Transfer Complexes: Effect of Hydrogenase Mutations on the Complex Association Long H, King PW, Ghirardi ML, Kim K
4068 - 4074	Theoretical Study of Surface Plasmon Resonances in Hollow Gold-Silver Double-Shell Nanostructures Roman-Velazquez CE, Noguez C, Zhang JZ
4075 - 4093	Conformations and Coherences in Structure Determination by Ultrafast Electron Diffraction Lin MM, Shorokhov D, Zewail AH
4094 - 4099	Optical Response of Ultrafine Spherical Silver Nanoparticles Arranged in Hexagonal Planar Arrays Studied by the DDA Method Portales H, Pinna N, Pileni MP
4100 - 4104	Effect of Electrodes on Electronic Transport of Molecular Electronic Devices Cho Y, Kim WY, Kim KS
4105 - 4109	Time-Dependent Quantum Dynamics Study of the Ne + H-2(+) (nu=0-9) and D-2(+) (nu=0-12) Proton Transfer Reactions at Thermal Collision Energies Mayneris-Perxachs J, Gonzalez M
4110 - 4116	High-Precision Calculations of the Hyperfine Constants for the Low-Lying Excited S-2 States of Be+ King FW
4117 - 4124	A Density Functional Study of the C-13 NMR Chemical Shifts in Fluorinated Single-Walled Carbon Nanotubes Zurek E, Pickard CJ, Autschbach J
4125 - 4133	A Periodic Density Functional Theory Analysis of CO Chemisorption on Pt(111) in the Presence of Uniform Electric Fields Deshlahra P, Wolf EE, Schneider WF
4134 - 4137	Spontaneous Formation of Dipolar Metal Nanodusters Mason SE, Sokol EA, Cooper VR, Rappe AM
4138 - 4144	Three Reaction Pathways in the H plus HCO -> H-2 + CO Reaction Christoffel KM, Bowman JM
4145 - 4154	A Reactant-Coordinate-Based Time-Dependent Wave Packet Method for Triatomic State-to-State Reaction Dynamics: Application to the H + O-2 Reaction Sun ZG, Lin X, Lee SY, Zhang DH
4155 - 4167	Theoretical Study of the Stereodynamics of CO Collisions with CH3- and CF3-Terminated Alkanethiolate Self-Assembled Monolayers Alexander WA, Morris JR, Troya D
4168 - 4174	Deformation and Hyperfine Structures of Dendrimers Investigated by Scanning Tunneling Microscopy Fleming CJ, Liu YX, Deng Z, Liu GY
4175 - 4183	Accurate Double Many-Body Expansion Potential Energy Surface for the Lowest Singlet State of Methylene Joseph S, Varandas AJC
4184 - 4191	Freezing Vibrational Energy Flow: A Fitness Function for Interchangeable Computational and Experimental Control Weidinger D, Engel MF, Gruebele M
4192 - 4197	Theoretical Study of Dynamics for the Abstraction Reaction H' plus HBr(v=0, j=0) -> H' H plus Br Zhang WQ, Cong SL, Zhang CH, Xu XS, Chen MD
4198 - 4207	Theory for Vibrationally Resolved Two-Photon Circular Dichroism Spectra. Application to (R)-(+)-3-Methylcyclopentanone Lin N, Santoro F, Rizzo A, Luo Y, Zhao X, Barone V
4208 - 4212	Rotational, Steric, and Coriolis Effects on the F plus HCl -> HF plus Cl Reaction on the 1(2)A' Ground-State Surface Defazio P, Petrongolo C
4213 - 4216	Persistence Lengths of DNA Obtained from Brownian Dynamics Simulations Mielke SP, Benham CJ, Gronbech-Jensen N
4217 - 4222	Electric Field Confinement and Enhancement in a Silver Film Fabry-Perot Interferometer Yu F, Wang HN, Zou SL
4223 - 4241	Electronic and Vibrational Coherences in Resonance Energy Transfer along MEH-PPV Chains at Room Temperature Collini E, Scholes GD
4242 - 4248	Rovibronically Selected and Resolved Two-Color Laser Photoionization and Photoelectron Study of the Iron Carbide Cation Chang YC, Lam CS, Reed B, Lau KC, Liou HT, Ng CY
4249 - 4254	Uncovering a Spectrally Hidden REMPI Band of CD3 by Ion Imaging Spectroscopy of the Products of the Cl + CHD3(1(1)3(1)) Reaction Riedel J, Liu K
4255 - 4264	Reduced Dimensionality Quantum Dynamics of CH3 + CH4 -> CH4 + CH3: Symmetric Hydrogen Exchange on an Ab Initio Potential Remmert SM, Banks ST, Clary DC
4265 - 4268	Optical Properties of Anisotropic Core-Shell Pyramidal Particles Sweeney CM, Hasan W, Nehl CL, Odom TW
4269 - 4280	An Optical Voltmeter for Studying Cetyltrimethylammonium Interacting with Fused Silica/Aqueous Interfaces at High Ionic Strength Hayes PL, Chen EH, Achtyl JL, Geiger FM
4281 - 4284	Facile, Large-Scale Synthesis of Dodecanethiol-Stabilized Au-38 Clusters Qian HF, Zhu MZ, Andersen UN, Jin RC
4285 - 4293	Adiabatic and Nonadiabatic State-to-State Quantum Dynamics for O(D-1) + H-2(X-1 Sigma(+)(g), v(i) = j(i)=0) -> OH(X-2 Pi, v(f), j(f)) + H(S-2) Reaction Lin SY, Guo H
4294 - 4304	Direct-Dynamics Study of the F + CH4, C2H6, C3H8, and i-C4H10 Reactions Layfield JP, Sweeney AF, Troya D
4305 - 4312	Density Functional Theory Investigation of EPR Parameters for Tetragonal Cu(II) Model Complexes with Oxygen Ligands Ames WM, Larsen SC
4313 - 4319	Serial Pushing Model for the Self-Assembly in Dip-Pen Nanolithography Kim H, Jang J
4320 - 4329	Dynamics of the Reaction of O(P-3) Atoms with Alkylthiol Self-assembled Monolayers Waring C, Bagot PAJ, Raisanen MT, Costen ML, McKendrick KG
4330 - 4339	Crossed-Beam and Theoretical Studies of the S(D-1) + C2H2 Reaction Leonori F, Petrucci R, Balucani N, Hickson KM, Hamberg M, Geppert WD, Casavecchia P
4340 - 4345	Photocatalysis in Gold Nanocage Nanoreactors Yen CW, Mahmoud MA, El-Sayed MA
4346 - 4355	Resonance Raman Spectroscopic Study of Alumina-Supported Vanadium Oxide Catalysts with 220 and 287 nm Excitation Kim HS, Stair PC
4356 - 4366	Nonadiabatic ab Initio Dynamics of Two Models of Schiff Base Retinal Ishida T, Nanbu S, Nakamura H
4367 - 4373	Bonding and Adhesion at the SiC/Fe Interface Johnson DF, Carter EA
4374 - 4380	Configuration-Driven Unitary Group Approach for Generalized Van Vleck Variant Multireference Perturbation Theory Jiang WY, Khait YG, Hoffmann MR
4381 - 4386	Dynamics of the F-2 Reaction with Propene: The Effect of Methyl Substitution Fang JW, Xie TX, Chen HY, Lu YJ, Lee YT, Lin JJ
4387 - 4396	Effects of Alkylation on Deviations from Lennard-jones Collision Rates for Highly Excited Aromatic Molecules: Collisions of Methylated Pyridines with HOD Liu QN, Havey DK, Li ZM, Mullin AS
4397 - 4402	Surface Raman Spectroscopy of Chemistry at the Tris(8-hydroxyquinoline) aluminum/Ca Interface Davis RJ, Pemberton JE
4403 - 4407	Retardation of Ice Crystallization by Short Peptides Kim JS, Damodaran S, Yethiraj A
4408 - 4415	Plasmonic Interactions and Optical Forces between Au Bipyramidal Nanoparticle Dimers Nome RA, Guffey MJ, Scherer NF, Gray SK
4416 - 4422	Field-Enhanced Phenomena of Gold Nanoparticles Nah S, Li LJ, Fourkas JT
4423 - 4429	Degree of Initial Hole Localization/Delocalization in Ionized Water Clusters Pieniazek PA, Sundstrom EJ, Bradforth SE, Krylov AI
4430 - 4436	Angle Dependent Collective Surface Plasmon Resonance in an Array of Silver Nanoparticles Pinchuk AO
4437 - 4444	Surface-Enhanced Vibrational Raman Optical Activity: A Time-Dependent Density Functional Theory Approach Jensen L
4445 - 4450	Electronic Structure and TDDFT Optical Absorption Spectra of Silver Nanorods Johnson HE, Aikens CA
4451 - 4456	Description of Bound Reactive Dynamics within the Approximate Quantum Trajectory Framework Garashchuk S
4457 - 4467	Kinetics of the Gas-Phase Recombination Reaction of Hydroxyl Radicals to Form Hydrogen Peroxide Selllevag SR, Georgievskii Y, Miller JA
4468 - 4478	Comparison of Quantum Dynamics and Quantum Transition State Theory Estimates of the H + CH4 Reaction Rate Andersson S, Nyman G, Arnaldsson A, Manthe U, Jonsson H
4479 - 4488	Functional Representation for the Born-Oppenheimer Diagonal Correction and Born-Huang Adiabatic Potential Energy Surfaces for Isotopomers of H-3 Mielke SL, Schwenke DW, Schatz GC, Garrett BC, Peterson KA
4489 - 4497	Near-Field Enhancement of Multipole Plasmon Resonances in Ag and Au Nanowires Encina ER, Perassi EA, Coronado EA
4498 - 4506	Temperature-Dependent Conformational Change of meso-Hexakis(pentafluorophenyl) [28]Hexaphyrins(1.1.1.1.1.1) into Mobius Structures Kim KS, Yoon ZS, Ricks AB, Shin JY, Mori S, Sankar J, Saito S, Jung YM, Wasielewski MR, Suka A, Kim D
4507 - 4517	A Computer Simulation Model for Proton Transport in Liquid Imidazole Hen H, Yan TY, Voth GA
4518 - 4533	Reactive Scattering with Row-Orthonormal Hyperspherical Coordinates. 3. Hamiltonian and Transformation Properties for Pentaatomic Systems Kuppermann A
4534 - 4548	Noncovalent Interactions of Ni+ with N-Donor Ligands (Pyridine, 4,4'-Dipyridyl, 2,2'-Dipyridyl, and 1,10-Phenanthroline): Collision-Induced Dissociation and Theoretical Studies Rannulu NS, Rodgers MT
4549 - 4556	Photoinduced Conductivity of a Porphyrin-Gold Composite Nanowire Kilin DS, Tsemekhman KL, Kilina SV, Balatsky AV, Prezhdo OV
4557 - 4569	Quantum Wave Packet Method for State-to-State Reactive Scattering Calculations on AB plus CD -> ABC plus D Reactions Cvitas MT, Althorpe SC
4570 - 4580	Cyclohexane Isomerization. Unimolecular Dynamics of the Twist-Boat Intermediate Kakhiani K, Lourderaj U, Hu WF, Birney D, Hase WL
4581 - 4586	Surface-Enhanced Raman Spectroscopy of Benzenethiol Adsorbed from the Gas Phase onto Silver Film over Nanosphere Surfaces: Determination of the Sticking Probability and Detection Limit Time Biggs KB, Camden JP, Anker JN, Van Duyne RP
4587 - 4597	Theoretical Investigations of Mode Mixing in Vibrationally Excited States of CH5+ Hinkle CE, Mccoy AB
4598 - 4603	Structures of Binary C-60-C-84 Fullerene Clusters Bubnis GJ, Mayne HR
4604 - 4612	Ultraviolet Photodissociation Dynamics of the Propargyl Radical Zheng XF, Song Y, Zhang JS
4613 - 4625	Toward Three-Dimensional Quantum State-Resolved Collision Dynamics at the Gas-Liquid Interface: Theoretical Investigation of Incident Angle Perkins BG, Nesbitt DJ
4626 - 4630	Application of Interpolating Moving Least Squares Fitting to Hypervelocity Collision Dynamics: O(P-3) plus HCl Camden JP, Dawes R, Thompson DL
4631 - 4638	Study of ArO- and ArO via Slow Photoelectron Velocity-Map Imaging Spectroscopy and Ab Initio Calculations Garand E, Buchachenko AA, Yacovitch TI, Szczesniak MM, Chalasinski G, Neumark DM
4639 - 4646	Theoretical Studies of Short Polyproline Systems: Recalibration of a Molecular Ruler Dolghih E, Ortiz W, Kim S, Krueger BP, Krause JL, Roitberg AE
4647 - 4651	Plasmonic Electromagnetic Hot Spots Temporally Addressed by Photoinduced Molecular Displacement Juan ML, Plain J, Bachelot R, Vial A, Royer P, Gray SK, Montgomery JM, Wiederrecht GP
4652 - 4657	Product Vibrational State-to-State Correlation in the F + SiH4 -> HF(nu(HF)) + SiH3 (0 nu(2)0) Reaction: A Crossed Molecular Beam Ion-Imaging Study Zhang WQ, Wu GR, Pan HL, Shuai Q, Jiang B, Dai DX, Yang XM
4658 - 4664	The Elimination of Redundant Constraints in Surprisal Analysis of Unimolecular Dissociation and Other Endothermic Processes Remacle F, Levine RD
4665 - 4676	Molecular Transport Junctions with Semiconductor Electrodes: Analytical Forms for One-Dimensional Self-Energies Reuter MG, Hansen T, Seideman T, Ratner MA
4677 - 4685	Theoretical and Experimental Studies of the Reactions between Hyperthermal O(P-3) and Graphite: Graphene-Based Direct Dynamics and Beam-Surface Scattering Approaches Paci JT, Upadhyaya HP, Zhang J, Schatz GC, Minton TK
4686 - 4690	Midinfrared Extinction Spectra of Submicron Carbohydrate Particles Generated by a Pneumatic Atomizer Matsuoka H, Sekiguchi S, Nishizawa K, Suzuki T
4691 - 4700	Excited State, Charge Transfer, and Spin Dynamics in DNA Hairpin Conjugates with Perylenediimide Hairpin Linkers Carmieli R, Zeidan TA, Kelley RF, Mi Q, Lewis FD, Wasielewski MR
4701 - 4708	Infrared Spectroscopy and Structures of Cobalt Carbonyl Cations, Co(CO)(n)(+) (n=1-9) Ricks AM, Bakker JM, Douberly GE, Duncan MA
4709 - 4721	Ab Initio Wavenumber Accurate Spectroscopy: (CH2)-C-1 and HCN Vibrational Levels on Automatically Generated IMLS Potential Energy Surfaces Dawes R, Wagner AF, Thompson DL
4722 - 4738	Experimental and Theoretical Investigations of the Inelastic and Reactive Scattering Dynamics of O(P-3) Collisions with Ethane Garton DJ, Minton TK, Hu WF, Schatz GC
4739 - 4745	Factors Controlling Hole Injection in Single Conjugated Polymer Molecules Fradkin L, Palacios RE, Bolinger JC, Lee KJ, Lackowski WM, Barbara PF
4746 - 4757	Filtering Reaction Dynamics Using Nearside-Farside Theory and Local Angular Momentum Theory: Application to the Angular Scattering of the H + D-2(nu(i)=0, j(i)=0) -> HD(nu(f)=3, j(f)=0) + D Reaction in the Energy and Time Domains Monks PDD, Connor JNL, Bouakline F
4758 - 4762	The Effect of Particle Size in Second Harmonic Generation from the Surface of Spherical Colloidal Particles. I: Experimental Observations Jen SH, Gonella G, Dai HL
4763 - 4771	Investigations of Energy Migration in an Organic Dendrimer Macromolecule for Sensory Signal Amplification Guo M, Varnavski O, Narayanan A, Mongin O, Majoral JP, Blanchard-Desce M, Goodson T
4772 - 4779	Spectroscopic Study of the Ion-Radical H-Bond in H4O2+ Gardeinier GH, Johnson MA, McCoy AB
4780 - 4787	Coarse-Grained Molecular Dynamics Study of Cyclic Peptide Nanotube Insertion into a Lipid Bilayer Hwang H, Schatz GC, Ratner MA
4788 - 4794	Excited State Electronic Structures and Photochemistry of Heterocyclic Annulated Perylene (HAP) Materials Tuned by Heteroatoms: S, Se, N, O, C, Si, and B Zhao GJ, Han KL
4795 - 4801	Theoretical Study on the Mechanism of Low-Energy Dissociative Electron Attachment for Uracil Takayanagi T, Asakura T, Motegi H
4802 - 4816	Post-CCSD(T) ab Initio Thermochemistry of Halogen Oxides and Related Hydrides XOX, XOOX, HOX, XOn, and HXOn, (X = F, Cl), and Evaluation of DFT Methods for These Systems Karton A, Parthiban S, Martin JML
4817 - 4827	Improved Methods for Feymnan Path Integral Calculations of Vibrational-Rotational Free Energies and Application to Isotopic Fractionation of Hydrated Chloride Ions Mielke SL, Truhlar DG