Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.124, No.22 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (24 articles)

4323 - 4324	Virtual Issue on New Tools and Methods in Physical Chemistry Research Mccoy AB
4325 - 4332	Thermal Stability of Ag-13(-) Clusters Studied by Ab Initio Molecular Dynamics Simulations Li HS, Wei DH, Zhao XJ, Ren XY, Zhang DW, Ju WW
4333 - 4344	Excited-State Properties of Metal-Free ((Z)-2-Cyano-3-(4-((E)-2-(6-(4-methoxyphenyl)-9-octyl-9H-carbazol-3-yl)v inyl)phenyl)acrylic Acid and (E)-2-Cyano-3-(4-((E)-4-(diphenylamino)styryl)phenyl)acrylic Acid) and Ru-Based (N719 and Z907) Dyes and Photoinduced Charge Transfer Processes in FTO/TiCl4/TiO2/Dye Photoanodes Fabricated by Conventional Staining and Potential-Assisted Adsorption Niedzwiedzki DM, Kandregula GR, Sivanadanam J, Ramanujam K
4345 - 4353	Investigating the Sulfur "Twist" on the Photophysics of DBD Dyes Haubitz T, John L, Freyse D, Wessig P, Kumke MU
4354 - 4366	Sensitivity Analysis in Plasma Chemistry: Application to Oxygen Cold Plasmas and the LoKI Simulation Tool Terraz L, Silva T, Tejero-del-Caz A, Alves LL, Guerra V
4367 - 4378	Highly Conjugated, Fused-Ring, Quadrupolar Organic Chromophores with Large Two-Photon Absorption Cross-Sections in the Near-Infrared Allen TG, Benis S, Munera N, Zhang JX, Dai SX, Li TF, Boyu J, Wang W, Barlow S, Hagan DJ, Van Stryland EW, Zhan XW, Perry JW, Marder S
4379 - 4389	Interplay between sigma Holes, Anion center dot center dot center dot H-C, and Cation-pi Interactions in Dibromo[2,2]paracyclophane Complexes Muya JT, Isamura BK, Issofa P, Nguyen MT
4390 - 4399	Alkali Metal Cations Bonding to Carboxylate Anions: Studies using Mass Spectrometry and Quantum Chemical Calculations Mayeux C, Burk P, Gal JF, Leito I, Massi L
4400 - 4412	Scandium in Neutral and Positively Charged Ammonia Complexes: Balancing between Sc2+ and Sc3+ Khan SN, Miliordos E
4413 - 4426	Hetero-site Double Core Ionization Energies with Sub-electronvolt Accuracy from Delta-Coupled-Cluster Calculations Zheng XC, Liu JZ, Doumy G, Young LD, Cheng L
4427 - 4439	The Role of Tunneling in the Spectra of H-5(+) and D-5(+) up to 7300 cm(-1) Boyer MA, Chiu CS, McDonald DC, Wagner JP, Colley JE, Orr DS, Duncan MA, McCoy AB
4440 - 4444	Re6C32: A Magnetic Pentagonal Icositetrahedron Molecule Ma HM, Zhao HY, Wang J, Liu Y
4445 - 4454	Automated Construction of Potential Energy Surfaces Suitable to Describe van der Waals Complexes with Highly Excited Nascent Molecules: The Rotational Spectra of Ar-CS(v) and Ar-SiS(v) Quintas-Sanchez E, Dawes R, Lee K, McCarthy MC
4455 - 4462	Cycloaddition Reactions between H2C = CHR (R = H, CN, CH3) and a Cyclic P/B Frustrated Lewis Pair: A DFT Study Ghara M, Giri S, Chattaraj PK
4463 - 4470	Energetics of Water Polyhedra with Square Faces Kirov MV
4471 - 4483	Matrix Isolation Spectroscopy and Nuclear Spin Conversion of Propyne Suspended in Solid Parahydrogen Strom AI, Gutierrez-Quintanilla A, Chevalier M, Ceponkus J, Crepin C, Anderson DT
4484 - 4495	Conformational Landscape of Oxygen-Containing Naphthalene Derivatives Goubet M, Martin-Drumel MA, Real F, Vallet V, Pirali O
4496 - 4505	Theoretical Study of Formation of Methanol under Hydrothermal Conditions Inaba S
4506 - 4511	Atom Classification Model for Total Energy Evaluation of Two-Dimensional Multicomponent Materials He CC, Qiu SB, Yu JS, Liao JH, Zhao YJ, Yang XB
4512 - 4516	Apparatus to Measure Subnanometer Fluctuation of Giant Unilamellar Vesicle Membranes Lee K, Chommanov G, Jang HS, Granick S
4517 - 4533	Ring-Current Maps for Benzenoids: Comparisons, Contradictions, and a Versatile Combinatorial Model Fowler PW, Myrvold W, Gibson C, Clarke J, Bird WH
4534 - 4538	Analysis of the Contributions to the Kinetic and Potential Energies of an H Atom in the Presence of a Point Charge: The Molecular Virial Theorem Revisited Kairalapova A, Jordan KD
4539 - 4548	Construction of Quasi-diabatic Hamiltonians That Accurately Represent ab Initio Determined Adiabatic Electronic States Coupled by Conical Intersections for Systems on the Order of 15 Atoms. Application to Cyclopentoxide Photoelectron Detachment in the Full 39 Degrees of Freedom Shen YF, Yarkony DR
4549 - 4555	Bond Resonance Energy Verification of sigma-Aromaticity in Cycloalkanes Makino M, Dias JR, Aihara J