Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.116, No.15 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (21 articles)

3771 - 3780	Size-Dependent Metamorphosis of Electron Binding Motif in Cluster Anions of Primary Amide Molecules Maeyama T, Yoshida K, Fujii A
3781 - 3793	Impact of Electronic Coupling, Symmetry, and Planarization on One- and Two-Photon Properties of Triarylamines with One, Two, or Three Diarylboryl Acceptors Makarov NS, Mukhopadhyay S, Yesudas K, Bredas JL, Perry JW, Pron A, Kivala M, Mullen K
3794 - 3801	Effects of Fuel Additives on the Thermal Cracking of n-Decane from Reactive Molecular Dynamics Wang QD, Hua XX, Cheng XM, Li JQ, Li XY
3802 - 3815	Experimental Investigation of the Complete Inner Shell Hydration Energies of Ca2+: Threshold Collision-Induced Dissociation of Ca2+(H2O)(x) Complexes (x=2-8) Carl DR, Armentrout PB
3816 - 3823	Photoionization-Induced Water Migration in the Hydrated trans-Formanilide Cluster Cation Revealed by Gas-Phase Spectroscopy and Ab Initio Molecular Dynamics Simulation Ikeda T, Sakota K, Kawashima Y, Shimazaki Y, Sekiya H
3824 - 3835	Reactions of CH3SH and CH3SSCH3 with Gas-Phase Hydrated Radical Anions (H2O)(n)(center dot-), CO2 center dot-(H2O)(n), and O-2(center dot-)(H2O)(n) Hockendorf RF, Hao Q, Sun Z, Fox-Beyer BS, Cao YL, Balaj OP, Bondybey VE, Siu CK, Beyer MK
3836 - 3845	CH center dot center dot center dot O Interaction Lowers Hydrogen Transfer Barrier to Keto-Enol Tautomerization of beta-Cyclohexanedione: Combined Infrared Spectroscopic and Electronic Structure Calculation Study Bandyopadhyay B, Pandey P, Banerjee P, Samanta AK, Chakraborty T
3846 - 3855	Infrared Spectra at a Conical Intersection: Vibrations of Methoxy Nagesh J, Sibert EL
3856 - 3865	Single and Double Core-Hole Ionization Energies in Molecules Thomas TD
3866 - 3880	An Evaluation of Scaling Factors for Multiparameter Scaling Procedures Based on DFT Force Fields Borowski P
3881 - 3888	Theoretical Insights into the Aggregation-Induced Emission by Hydrogen Bonding: A QM/MM Study Wu QY, Peng Q, Niu YL, Gao X, Shuai ZG
3889 - 3898	Synthesis and Photodynamics of Fluorescent Blue BODIPY-Porphyrin Tweezers Linked by Triazole Rings Eggenspiller A, Takai A, El-Khouly ME, Ohkubo K, Gros CP, Bernhard C, Goze C, Denat F, Barbe JM, Fukuzumi S
3899 - 3906	Reversed Freeze Quench Method near the Solvent Phase Transition Marchanka A, van Gastel M
3907 - 3917	Bimolecular Rate Constant and Product Branching Ratio Measurements for the Reaction of C2H with Ethene and Propene at 79 K Bouwman J, Goulay F, Leone SR, Wilson KR
3918 - 3925	Development of a ReaxFF Reactive Force Field for Ettringite and Study of its Mechanical Failure Modes from Reactive Dynamics Simulations Liu LC, Jaramillo-Botero A, Goddard WA, Sun H
3926 - 3933	Charge Transfer in Model Bioinspired Carotene-Porphyrin Dyads Orian L, Carlotto S, Di Valentin M, Polimeno A
3934 - 3939	Isoelectronic Doping of Graphdiyne with Boron and Nitrogen: Stable Configurations and Band Gap Modification Bu HX, Zhao MW, Zhang HY, Wang XP, Xi Y, Wang ZH
3940 - 3945	Multiscale QM/MM Molecular Dynamics Study on the First Steps of Guanine Damage by Free Hydroxyl Radicals in Solution Abolfath RM, Biswas PK, Rajnarayanam R, Brabec T, Kodym R, Papiez L
3946 - 3951	Visualizing Internal Stabilization in Weakly Bound Systems Using Atomic Energies: Hydrogen Bonding in Small Water Clusters Albrecht L, Boyd RJ
3952 - 3959	Generalized Anomeric Effect on N-Alkyl-amino Cation Affinities: A G2(+)(M) Investigation Geng S, Ren Y, Wong NB, Li WK
3960 - 3967	Fourteen-Electron Ring Model and the Anomalous Magnetic Circular Dichroism of meso-Triarylsubporphyrins Vancoillie S, Hendrickx M, Nguyen MT, Pierloot K, Ceulemans A, Mack J, Kobayashi N