Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.122, No.18 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (24 articles)

4389 - 4389	Time-Resolved Vibrational Spectroscopy Bakker H, Meech SR, Heilweil EJ
4390 - 4398	Globally Accurate Potential Energy Surface for HCS(A(2)A '') by Extrapolation to the Complete Basis Set Limit Zhang LL, Song YZ, Gao SB, Meng QT
4399 - 4413	Direct Observation of Cr3+ 3d States in Ruby: Toward Experimental Mechanistic Evidence of Metal Chemistry Hunault MOJY, Harada Y, Miyawaki J, Wang J, Meijerink A, de Groot FMF, van Schooneveld MM
4414 - 4424	A Comprehensive Scope of Peripheral and Axial Substituent Effect on the Spectroelectrochemistry of Boron Subphthalocyanines Sampson KL, Jiang XQ, Bukuroshi E, Dovijarski A, Raboui H, Bender TP, Kasdish KM
4425 - 4429	Light Driven Electron Transfer in Methylbipyridine/Phenol Complexes Is Not Proton Coupled Tyburski R, Fohlinger J, Hammarstrom L
4430 - 4436	Ultrafast Dynamics of the Metal-to-Ligand Charge Transfer Excited States of Ir(III) Proteo and Deutero Dihydrides Taliaferro CM, Danilov EO, Castellano FN
4437 - 4447	Ultrafast Through-Space Electronic Energy Transfer in Molecular Dyads Built around Dynamic Spacer Units Ziessel R, Stachelek P, Harriman A, Hedley GJ, Roland T, Ruseckas A, Samuel IDW
4448 - 4456	Computational and Spectroscopic Analysis of beta-Indandione Modified Zinc Porphyrins Mapley JI, Wagner P, Officer DL, Gordon KC
4457 - 4464	Second-Order Vibrational Lineshapes from the Air/Water Interface Ohno PE, Wang HF, Paesani F, Skinner JL, Geiger FM
4465 - 4469	Atmospheric Hydroxyl Radical Source: Reaction of Triplet SO2 and Water Kroll JA, Frandsen BN, Kjaergaard HG, Vaida V
4470 - 4480	Theoretical and Experimental Study on the Reaction of tert-Butylamine with OH Radicals in the Atmosphere Tan W, Zhu L, Mikoviny T, Nielsen CJ, Wisthaler A, Eichler P, Muller M, D'Anna B, Farren NJ, Hamilton JF, Pettersson JBC, Hallquist M, Antonsen S, Stenstrom Y
4481 - 4489	Blue- and Red-Shifting Hydrogen Bonding: A Gas Phase FTIR and Ab Initio Study of RR ' CO center dot center dot center dot DCCI3 and RR ' S center dot center dot center dot DCCI3 Complexes Behera B, Das PK
4490 - 4498	Natural Bond Orbital Theory of Pseudo-Jahn-Teller Effects Nori-Shargh D, Weinhold F
4499 - 4507	Insight into the Extraction Mechanism of Americium(III) over Europium(III) with Pyridylpyrazole: A Relativistic Quantum Chemistry Study Kong XH, Wu QY, Wang CZ, Lan JH, Chai ZF, Nie CM, Shi WQ
4508 - 4520	Ground-State Charge-Density Distribution in a Crystal of the Luminescent ortho-Phenylenediboronic Acid Complex with 8-Hydroxyquinoline Jarzembska KN, Kaminski R, Durka K, Wozniak K
4521 - 4529	The Strength of Hydrogen Bonds between Fluoro-Organics and Alcohols, a Theoretical Study Rosenberg RE
4530 - 4537	Efficient Nitrogen Fixation via a Redox-Flexible Single-Iron Site with Reverse-Dative Iron -> Boron sigma Bonding Lu JB, Wang XL, Wang JQ, Liu JC, Xiao H, Li J
4538 - 4548	On the Unusual Synclinal Conformations of Hexafluorobutadiene and Structurally Similar Molecules Braden DA, Matta CF
4549 - 4554	Hydration of an Acid Anhydride: The Water Complex of Acetic Sulfuric Anhydride Smith CJ, Huff AK, Mackenzie RB, Leopold KR
4555 - 4561	Revealing the Conformational Preferences of Proteinogenic Glutamic Acid Derivatives in Solution by H-1 NMR Spectroscopy and Theoretical Calculations Siva WGDP, Tormena CF, Rittner R
4562 - 4570	The Nature of the Interactions in Triethanolammonium-Based Ionic Liquids. A Quantum Chemical Study Fedorova IV, Safonova LP
4571 - 4578	Machine-Learning Energy Gaps of Porphyrins with Molecular Graph Representations Li Z, Omidvar N, Chin WS, Robb E, Morris A, Achenie L, Xin HL
4579 - 4590	When Is Ligand pK(a) a Good Descriptor for Catalyst Energetics? In Search of Optimal CO2 Hydration Catalysts Kim JY, Kuik HJ
4591 - 4592	DFT Modeling of Cross-Linked Polyethylene: Role of Gold Atoms and Dispersion Interactions (vol 122, pg 1496, 2018) Blasko M, Mach P, Antusek A, Urban M