Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.112, No.10 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (24 articles)

1965 - 1965	Introduction to the William A. Lester, Jr., Festschrift Aspuru-Guzik A, Harkless JAW
1967 - 1969	Autobiography of William A. Lester, Jr. Lester WA
1981 - 1985	Proton affinity of methyl peroxynitrate Ravelo RM, Francisco JS
1986 - 1998	Ab initio fragment molecular orbital study of molecular interactions between liganded retinoid X receptor and its coactivator; Part II: Influence of mutations in transcriptional activation function 2 activating domain core on the molecular interactions Ito M, Fukuzawa K, Mochizuki Y, Nakano T, Tanaka S
1999 - 2006	Near-threshold electron attachment as Regge resonances: Cross sections for K, Rb, and Cs atoms Msezane AZ, Felfli Z, Sokolovski D
2007 - 2011	Use of virtual screening, flexible docking, and molecular interaction fields to design novel HMG-CoA reductase inhibitors for the treatment of hypercholesterolemia da Silva VB, Taft CA, Silva CHTP
2012 - 2017	Gamma distribution model to provide a direct assessment of the overall quality of quantum Monte Carlo-generated electron distributions Coles B, Vrbik P, Giacometti RD, Rothstein SM
2018 - 2026	Oligothiophene dendrimers as new building blocks for optical applications Ramakrishna G, Bhaskar A, Bauerle P, Goodson T
2027 - 2033	Reaction rates and dissolution mechanisms of quartz as a function of pH Nangia S, Garrison BJ
2034 - 2042	Chromium aromatic hydrocarbon sandwich molecules and the eighteen-electron rule Philpott MR, Kawazoe Y
2043 - 2048	Conductance of a cobalt(II) terpyridine complex based molecular transistor: A computational analysis Perrine TM, Dunietz BD
2049 - 2057	Accelerating resolution-of-the-identity second-order Moller-Plesset quantum chemistry calculations with graphical processing units Vogt L, Olivares-Amaya R, Kermes S, Shao Y, Amador-Bedolla C, Aspuru-Guzik A
2058 - 2064	Characterizing excited states of CH5+ with diffusion Monte Carlo Hinkle CE, Mccoy AB
2065 - 2068	Isomer energy differences for the C4H3 and C4H5 isomers using diffusion Monte Carlo Domin D, Lester WA, Whitesides R, Frenklach M
2069 - 2073	Simple STM tip functionalization for rapid DNA sequencing: An ab initio Green's function study Yanov I, Palacios JJ, Hill G
2074 - 2076	Quantum Monte Carlo for 3d transition-metal atoms Sarsa A, Buendia E, Galvez FJ, Maldonado P
2077 - 2081	Theoretical studies on the mechanism of C-P bond cleavage of a model alpha-aminophosphonate in acidic condition Doskocz M, Roszak S, Majumdar D, Doskocz J, Gancarz R, Leszczynski J
2082 - 2087	Heats of formation of triplet ethylene, ethylidene, and acetylene Nguyen MT, Matus MH, Lester WA, Dixon DA
2088 - 2092	Bond dissocation and conformational energetics of tetrasulfur: A quantum Monte Carlo study Harkless JAW, Francisco JS
2093 - 2103	Trajectory surface hopping study of the O(P-3) plus ethylene reaction dynamics Hu W, Lendvay G, Maiti B, Schatz GC
2104 - 2109	Toward the exact solution of the electronic Schrodinger equation for noncovalent molecular interactions: Worldwide distributed quantum Monte Carlo calculations Korth M, Luchow A, Grimme S
2110 - 2119	A study of the effect of attenuation curvature on molecular correlation energies by introducing an explicit cutoff radius into two-electron integrals Dutoi AD, Head-Gordon M
2120 - 2124	Conformations of allyl amine: Theory vs experiment Galabov B, Kim S, Xie Y, Schaefer HF, Leininger ML, Durig JR
2125 - 2130	Graphene layer growth chemistry: Five- and six-member ring flip reaction Whitesides R, Domin D, Salomon-Ferrer R, Lester WA, Frenklach M