Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.124, No.11 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (23 articles)

2109 - 2112	Statistical Analysis of Physical Chemistry Data: Errors Are Not Mistakes Hartland GV
2113 - 2122	Influence of Structural Isomerism on the Photophysical Properties of a Series of Donor-Acceptor 1-Naphthalenecarbonitrile Derivatives Possessing Amine Substituents Phillips AT, Yu ZN, Stewart DJ, Cooper TM, Haley JE, Tan LS, Grusenmeyer TA
2123 - 2139	Cl Atom-Initiated Photo-Oxidation Reactions of Vinyl Trifluoroacetate and Allyl Trifluoroacetate in Tropospheric Conditions Kaipara R, Rajakumar B
2140 - 2151	Fingerprinting the Excited-State Dynamics in Methyl Ester and Methyl Ether Anions of Deprotonated para-Coumaric Acid Bull JN, Anstoter CS, Verlet JRR
2152 - 2159	Computational Estimation of the Gas-Phase and Aqueous Acidities of Carbon Acids Baldasare CA, Seybold PG
2160 - 2172	Origin of Fluorescence from Boranils in the Crystalline Phase Al-Sharif HHT, Ziessel R, Waddell PG, Dixon C, Harriman A
2173 - 2185	GIAO versus GIPAW: Comparison of Methods To Calculate B-11 NMR Shifts of Icosahedral Closo-Heteroboranes toward Boron-Rich Borides Ludwig M, Himmel D, Hillebrecht H
2186 - 2192	Interaction of Slow Electrons with Thermally Evaporated Manganese(II) Acetylacetonate Complexes Kopyra J, Rabilloud F, Abdoul-Carime H
2193 - 2206	Simulating the Nonadiabatic Relaxation Dynamics of 4-(N,N-Dimethylamino)benzonitrile (DMABN) in Polar Solution Kochman MA, Durbeej B
2207 - 2214	A Conceptual DFT Study of Phosphonate Dimers: Dianions Supported by H-Bonds Azofra LM, Elguero J, Alkorta I
2215 - 2224	Theoretical Spectroscopic Studies on Chemical and Electronic Structures of Selenocysteine and Pyrrolysine Li HB, Hua WJ, Wang ZQ, Liu AX, Jiang J, Luo Y
2225 - 2230	The Effect of Nuclear-Quadrupole Coupling in the Laser-Induced Alignment of Molecules Thesing LV, Yachmenev A, Gonzalez-Ferez R, Kupper J
2231 - 2241	Molecular Electrostatic Potential Reorganization Theory to Describe Positive Cooperativity in Noncovalent Trimer Complexes Bijina PV, Suresh CH
2242 - 2252	Electron Paramagnetic Resonance Characteristics and Crystal Structure of a Tutton Salt Analogue: Copper-Doped Cadmium Creatininium Sulfate Colaneri MJ, Teat SJ, Vitali J
2253 - 2263	Infrared Spectra of Isomers of Protonated Aniline in Solid para-Hydrogen Tsuge M, Chen YH, Lee YP
2264 - 2269	Photoelectron Velocity Map Imaging Spectroscopic and Theoretical Study of Heteronuclear MNi(CO)(7)(-) (M = V, Nb, Ta) Zhang JM, Li G, Yuan Q, Zou JH, Yang D, Zheng HJ, Wang C, Yang JP, Jing AS, Liu YM, Fan HJ, Xie H
2270 - 2278	Rotational Spectroscopic and Ab Initio Investigation of the Rotamer Geometries of 2-Fluoroanisole and 3-Fluoroanisole Bergmann K, van Wijngaarden J
2279 - 2287	Emerging Nonvalence Anion States of [Isoprene-H center dot]center dot H2O Accessed via Detachment of OH-center dot Isoprene Dobulis MA, Thompson MC, Patros KM, Sommerfeld T, Jarrold CC
2288 - 2300	Highly Selective and Sensitive Detection of Formaldehyde by beta(12)-Borophene/SnO2 Heterostructures: The Role of an External Electric Field and In-Plain Biaxial Strain Opoku F, Govender PP
2301 - 2308	Unified Description of Diffusion Coefficients from Small to Large Molecules in Organic-Water Mixtures Evoy E, Kamal S, Patey GN, Martin ST, Bertram AK
2309 - 2317	Prediction of Rate Coefficients for the H2CO + OH -> HCO + H2O Reaction at Combustion, Atmospheric and Interstellar Medium Conditions Machado GD, Martins EM, Baptista L, Bauerfeldt GF
2318 - 2327	Efficient Ab Initio Multiplet Calculations for Magnetic Adatoms on MgO Wolf C, Delgado F, Reina J, Lorente N
2328 - 2334	Microcanonical Nucleation Theory for Anisotropic Materials Validated on Alumina Clusters Chemin A, Miyajima K, Melinon P, Mafune F, Amans D