Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.111, No.44 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (25 articles)

11167 - 11168	Tribute to Thom H. Dunning, Jr. Harrison RJ, Wilson AK
11169 - 11184	Highlights of a scientific odyssey Dunning TH
11185 - 11188	Electron affinity of NO Arrington CA, Dunning TH, Woon DE
11189 - 11197	Reduced multireference coupled-cluster method: Barrier heights for heavy atom transfer, nucleophilic substitution, association, and unimolecular reactions Li XZ, Paldus J
11198 - 11204	Polarization consistent basis sets. 4: The elements He, Li, Be, B, Ne, Na, Mg, Al, and Ar Jensen F
11205 - 11213	Calculation of vibrational infrared intensities and Raman activities using explicit anharmonic wave functions Seidler P, Kongsted J, Christiansen O
11214 - 11220	Molecular Spectroscopy beyond the born-oppenheimer approximation: A computational study of the CF30 and CF3S radicals Marenich AV, Boggs JE
11221 - 11231	Ab initio study of the electronic structure and bonding of aluminum nitride Kalemos A, Mavridis A
11232 - 11241	Chiroptical Properties of (R)-3-Chloro-l-butene and (R)-2-Chlorobutane Tam MC, Abrams ML, Crawford TD
11242 - 11248	Basis set limit CCSD(T) harmonic vibrational frequencies Tew DP, Klopper W
11249 - 11253	Quantum chemical evaluation of the astrochemical significance of reactions between S atom and acetylene or ethylene Woon DE
11254 - 11260	Role of excited core rydberg states in dissociative recombination Guberman SL
11261 - 11268	Structure and stability of the organo-noble gas molecules XNgCCX and XNgCCNgX (Ng = Kr, Ar; X = F, CI) Yockel S, Gawlik E, Wilson AK
11269 - 11277	Quantitative computational thermochemistry of transition metal species DeYonker NJ, Peterson KA, Steyl G, Wilson AK, Cundari TR
11278 - 11286	Gauge-origin-independent coupled cluster singles and doubles calculation of magnetic circular dichroism of azabenzenes and phosphabenzene using London orbitalst Kjaergaard T, Jansik B, Jorgensen P
11287 - 11293	Finding the transition state of quasi-barrierless reactions by a growing string method for newton trajectories: Application to the dissociation of methylenecyclopropene and cyclopropane Quapp W, Kraka E, Cremer D
11294 - 11301	Anatomy of bond formation. domain-averaged fermi holes as a tool for the study of the nature of the chemical bonding in Li-2, Li-4, and F-2 Ponec R
11302 - 11310	Ab initio molecular dynamics of excited-state intramolecular proton transfer using multireference perturbation theory Coe JD, Levine BG, Martinez TJ
11311 - 11319	Three-body contribution to the helium interaction potential Cencek W, Jeziorska M, Akin-Ojo O, Szalewicz K
11320 - 11327	Forward-backward semiclassical dynamics with information-guided noise reduction for a molecule in solution Bukhman E, Makri N
11328 - 11341	High-resolution infrared Spectroscopy in the 1200-1300 cm-1 region and accurate theoretical estimates for the structure and ring-puckering barrier of perfluorocyclobutane Blake TA, Glendening EA, Sams RL, Sharpe SW, Xantheas SS
11342 - 11349	Aqueous microsolvation of mercury halide species Shepler BC, Wright AD, Balabanov NB, Peterson KA
11350 - 11358	Characterizing the cooperativity in h-bonded amino structures van Mourik T, Dingley AJ
11359 - 11382	Extension of the renormalized coupled-cluster methods exploiting left eigenstates of the similarity-transformed Hamiltonian to open-shell systems: A benchmark study Wloch M, Gour JR, Piecuch P
11383 - 11393	Systematically convergent correlation consistent basis sets for molecular core-valence correlation effects: The third-row atoms gallium through kryptont DeYonker NJ, Peterson KA, Wilson AK