NRC Research Press: Canadian Journal of Chemistry: Table of Contents

Kinetics of gene expression in bacteria — From models to measurements, and back again

pubs@nrcresearchpress.com (Andre S. Ribeiro) — Sat, 14 Dec 2013 08:00:00 GMT

Canadian Journal of Chemistry, Volume 0, Issue 0, Page 1-8, e-First articles.

Energy-dependent stereodynamics for the H(2S)+NH(X3)→H2(X1Σg+)+N(4S) reaction on the improved ZH potential energy surface

pubs@nrcresearchpress.com (Cui-Xia Yao et al) — Mon, 22 Apr 2013 18:05:06 GMT

Canadian Journal of Chemistry, Volume 0, Issue 0, Page 1-5, e-First articles.

Four new triterpenes from Ilex cornuta Lindley

pubs@nrcresearchpress.com (Seung Young Lee et al) — Fri, 19 Apr 2013 17:15:48 GMT

Canadian Journal of Chemistry, Volume 0, Issue 0, Page 1-5, e-First articles.

Ti-coated BC2N nanotubes as hydrogen storage materials

pubs@nrcresearchpress.com (Seifollah Jalili et al) — Thu, 18 Apr 2013 16:11:26 GMT

Canadian Journal of Chemistry, Volume 0, Issue 0, Page 1-7, e-First articles.

QM/MM molecular dynamics simulations of the hydration of Mg(II) and Zn(II) ions

pubs@nrcresearchpress.com (Saleh Riahi et al) — Thu, 04 Apr 2013 17:45:56 GMT

Canadian Journal of Chemistry, Volume 0, Issue 0, Page 1-7, e-First articles.

Further refinements of next-generation force fields — Nonempirical localization of off-centered points in molecules

pubs@nrcresearchpress.com (Robin Chaudret et al) — Wed, 03 Apr 2013 07:00:00 GMT

Canadian Journal of Chemistry, Volume 0, Issue 0, Page 1-7, e-First articles.

Predicting the substituent and solvent effects on the radical scavenger activity of ethoxyquin derivatives: a DFT/B3LYP study

pubs@nrcresearchpress.com (Mohammad Najafi et al) — Wed, 03 Apr 2013 07:00:00 GMT

Canadian Journal of Chemistry, Volume 0, Issue 0, Page 457-464, e-First articles.

Interactions of laulimalide, peloruside, and their derivatives with the isoforms of β-tubulin

pubs@nrcresearchpress.com (Melissa M. Gajewski et al) — Tue, 02 Apr 2013 17:23:36 GMT

Canadian Journal of Chemistry, Volume 0, Issue 0, Page 1-7, e-First articles.

Halogenated poly(isobutylene-co-isoprene): influence of halogen leaving-group and polymer microstructure on chemical reactivity

pubs@nrcresearchpress.com (Joanne R. McNeish et al) — Mon, 25 Mar 2013 07:00:00 GMT

Canadian Journal of Chemistry, Volume 0, Issue 0, Page 420-427, e-First articles.

The reaction mechanism of chiral hydroxylation of p-OH and p-NH2 substituted compounds by ethylbenzene dehydrogenase

pubs@nrcresearchpress.com (Agnieszka Dudzik et al) — Thu, 21 Mar 2013 07:00:00 GMT

Canadian Journal of Chemistry, Volume 0, Issue 0, Page 1-12, e-First articles.

A direct method for the synthesis of indolizine derivatives from easily available aromatic ketones, pyridines, and acrylonitrile derivatives

pubs@nrcresearchpress.com (Qun Cai et al) — Tue, 19 Mar 2013 07:00:00 GMT

Canadian Journal of Chemistry, Volume 0, Issue 0, Page 414-419, e-First articles.

Density functional theory study of allopurinol

pubs@nrcresearchpress.com (Delano P. Chong) — Thu, 14 Mar 2013 07:00:00 GMT

Canadian Journal of Chemistry, Volume 0, Issue 0, Page 1-5, e-First articles.

A survey on pure sampling in quantum Monte Carlo methods

pubs@nrcresearchpress.com (Stuart M. Rothstein) — Fri, 08 Mar 2013 08:00:00 GMT

Canadian Journal of Chemistry, Volume 0, Issue 0, Page 1-6, e-First articles.

Atmospheric oxidation mechanism of polyfluorinated sulfonamides — A quantum chemical and kinetic study

pubs@nrcresearchpress.com (Xiaoyan Sun et al) — Wed, 06 Mar 2013 08:00:00 GMT

Canadian Journal of Chemistry, Volume 0, Issue 0, Page 1-7, e-First articles.

Investigation of the molecular mechanisms of electronic decoherence within a quinone cofactor

pubs@nrcresearchpress.com (Christophe Narth et al) — Mon, 04 Mar 2013 08:00:00 GMT

Canadian Journal of Chemistry, Volume 0, Issue 0, Page 1-9, e-First articles.

Structural characterization of the model amphipathic peptide Ac-LKKLLKLLKKLLKL-NH2 in aqueous solution and with 2,2,2-trifluoroethanol and 1,1,1,3,3,3-hexafluoroisopropanol

pubs@nrcresearchpress.com (Garry W. Buchko et al) — Mon, 25 Feb 2013 08:00:00 GMT

Canadian Journal of Chemistry, Volume 0, Issue 0, Page 406-413, e-First articles.

Stability and decarbonylation of 1,3-dialkyl-2-formylimidazolium perchlorate in solution

pubs@nrcresearchpress.com (Hong-Xing Xin et al) — Mon, 25 Feb 2013 08:00:00 GMT

Canadian Journal of Chemistry, Volume 0, Issue 0, Page 1-6, e-First articles.

Franck–Condon factors—Computational approaches and recent developments

pubs@nrcresearchpress.com (Raffaele Borrelli et al) — Mon, 25 Feb 2013 08:00:00 GMT

Canadian Journal of Chemistry, Volume 0, Issue 0, Page 1-10, e-First articles.

Rational questing for inhibitors of endothelin converting enzyme-1 from Salvia miltiorrhiza by combining ligand- and structure-based virtual screening

pubs@nrcresearchpress.com (Xing Wang et al) — Mon, 25 Feb 2013 08:00:00 GMT

Canadian Journal of Chemistry, Volume 0, Issue 0, Page 1-9, e-First articles.

Chemical bonding in groups 10, 11, and 12 transition metal homodimers — An electron density study

pubs@nrcresearchpress.com (SeyedAbdolreza Sadjadi et al) — Mon, 25 Feb 2013 08:00:00 GMT

Canadian Journal of Chemistry, Volume 0, Issue 0, Page 1-8, e-First articles.

Keto, thione, selone, and tellone carotenoids — Changing antioxidants to antireductants

pubs@nrcresearchpress.com (Ana Martínez) — Thu, 21 Feb 2013 08:00:00 GMT

Canadian Journal of Chemistry, Volume 0, Issue 0, Page 1-7, e-First articles.

A density functional study of Rh13

pubs@nrcresearchpress.com (Patrizia Calaminici et al) — Mon, 11 Feb 2013 08:00:00 GMT

Canadian Journal of Chemistry, Volume 0, Issue 0, Page 1-7, e-First articles.

Quantification of contributions of different molecular fragments for antioxidant activity of coumarin derivatives based on QSAR analyses

pubs@nrcresearchpress.com (Indrani Mitra et al) — Mon, 11 Feb 2013 08:00:00 GMT

Canadian Journal of Chemistry, Volume 0, Issue 0, Page 1-14, e-First articles.

Electronic propensity of Cu(II) versus Cu(I) sites in zeolites to activate NO — Spin- and orbital-resolved Cu–NO electron transfer

pubs@nrcresearchpress.com (Mariusz Radoń et al) — Mon, 11 Feb 2013 08:00:00 GMT

Canadian Journal of Chemistry, Volume 0, Issue 0, Page 1-6, e-First articles.

High-resolution electron spectroscopy and molecular structures of Cu–(2,2′-bipyridine) and Cu-(4,4′-bipyridine)

pubs@nrcresearchpress.com (Xu Wang et al) — Mon, 11 Feb 2013 08:00:00 GMT

Canadian Journal of Chemistry, Volume 0, Issue 0, Page 1-8, e-First articles.

Computational studies on a high density cage compound hexanitrohexaazaisowurtzitane derivative

pubs@nrcresearchpress.com (Xiao-Hong Li et al) — Thu, 07 Feb 2013 08:00:00 GMT

Canadian Journal of Chemistry, Volume 0, Issue 0, Page 1-6, e-First articles.

13C NMR chemical shift calculations of charged surfactants in water — A combined density functional theory (DFT) and molecular dynamics (MD) methodological study

pubs@nrcresearchpress.com (T. Mineva et al) — Thu, 07 Feb 2013 08:00:00 GMT

Canadian Journal of Chemistry, Volume 0, Issue 0, Page 1-9, e-First articles.

In situ time-resolved X-ray diffraction study of the synthesis of Mo2C with different carburization agents

pubs@nrcresearchpress.com (Héctor J. Guzmán et al) — Wed, 30 Jan 2013 08:00:00 GMT

Canadian Journal of Chemistry, Volume 0, Issue 0, Page 1-10, e-First articles.

Poly(lactic acid) polymer stars built from early generation dendritic polyols

pubs@nrcresearchpress.com (Genny E. Keefe et al) — Fri, 25 Jan 2013 08:00:00 GMT

Canadian Journal of Chemistry, Volume 0, Issue 0, Page 1-6, e-First articles.

The spectroscopic NMR analysis of 2-dicyanovinyl-5-phenylthiophene by the density functional method

pubs@nrcresearchpress.com (Xiao-Hong Li et al) — Fri, 25 Jan 2013 08:00:00 GMT

Canadian Journal of Chemistry, Volume 0, Issue 0, Page 1-7, e-First articles.

QM/MM MD and free energy simulations of the methylation reactions catalyzed by protein arginine methyltransferase PRMT3

pubs@nrcresearchpress.com (Yuzhuo Chu et al) — Fri, 25 Jan 2013 08:00:00 GMT

Canadian Journal of Chemistry, Volume 0, Issue 0, Page 1-8, e-First articles.

The hemibond as an alternative condensed phase structure for the hydroxyl radical

pubs@nrcresearchpress.com (Edelsys Codorniu-Hernández et al) — Thu, 24 Jan 2013 08:00:00 GMT

Canadian Journal of Chemistry, Volume 0, Issue 0, Page 1-8, e-First articles.

Selecting DFT methods for use in optimizations of enzyme active sites: applications to ONIOM treatments of DNA glycosylases

pubs@nrcresearchpress.com (Jennifer L. Kellie et al) — Thu, 17 Jan 2013 08:00:00 GMT

Canadian Journal of Chemistry, Volume 0, Issue 0, Page 1-14, e-First articles.

Computational study on the deamination reaction of adenine with OH−/nH2O (n = 0, 1, 2, 3) and 3H2O

pubs@nrcresearchpress.com (Ahmad I. Alrawashdeh et al) — Wed, 02 Jan 2013 08:00:00 GMT

Canadian Journal of Chemistry, Volume 0, Issue 0, Page 1-9, e-First articles.

A dispersion-corrected density functional theory study of hexamers of formic acid

pubs@nrcresearchpress.com (Shane P. McCarthy et al) — Wed, 02 Jan 2013 08:00:00 GMT

Canadian Journal of Chemistry, Volume 0, Issue 0, Page 1-2, e-First articles.

Atmospheric degradation of 2,3,7,8-tetrachlorinated dibenzo-p-dioxins in the presence of NO3 at night

pubs@nrcresearchpress.com (Yuyang Zhao et al) — Fri, 14 Dec 2012 08:00:00 GMT

Canadian Journal of Chemistry, Volume 0, Issue 0, Page 1-8, e-First articles.

Reactions of (phenylethynyl)sulfones with tricyclo[4.1.0.02,7]heptanes

pubs@nrcresearchpress.com (V.A. Vasin et al) — Wed, 05 Dec 2012 08:00:00 GMT

Canadian Journal of Chemistry, Volume 0, Issue 0, Page 1-7, e-First articles.

Synthesis of modified carbon nanotube-supported Pd and the catalytic performance for hydrodehalogenation of aryl halides

pubs@nrcresearchpress.com (Yuandong Xu et al) — Thu, 20 Dec 2012 08:00:00 GMT

Canadian Journal of Chemistry, Volume 91, Issue 5, Page 307-314, May 2013.

Theoretical study on the reaction of atomic oxygen with unsymmetrical dimethylhydrazine

pubs@nrcresearchpress.com (Jinmiao Wen et al) — Mon, 08 Apr 2013 07:00:00 GMT

Canadian Journal of Chemistry, Volume 91, Issue 5, Page 315-319, May 2013.

A selective, inexpensive probe for UV-induced damage in nucleic acids

pubs@nrcresearchpress.com (Amira F. El-Yazbi et al) — Mon, 10 Dec 2012 08:00:00 GMT

Canadian Journal of Chemistry, Volume 91, Issue 5, Page 320-325, May 2013.

Continuous-flow synthesis of [11C]raclopride, a positron emission tomography radiotracer, on a microfluidic chip

pubs@nrcresearchpress.com (Samar Haroun et al) — Thu, 17 Jan 2013 08:00:00 GMT

Canadian Journal of Chemistry, Volume 91, Issue 5, Page 326-332, May 2013.

Pd/BaSO4-catalyzed cross coupling of acyl chlorides with in situ generated alkynylzinc derivatives for the synthesis of ynones

pubs@nrcresearchpress.com (Hu Yuan et al) — Wed, 30 Jan 2013 08:00:00 GMT

Canadian Journal of Chemistry, Volume 91, Issue 5, Page 333-337, May 2013.

The role of the Lewis acid−base properties in the supramolecular association of 1,2,5-chalcogenadiazoles

pubs@nrcresearchpress.com (Anthony F. Cozzolino et al) — Wed, 23 Jan 2013 08:00:00 GMT

Canadian Journal of Chemistry, Volume 91, Issue 5, Page 338-347, May 2013.

Palladium chloride catalyzed photochemical Heck reaction

pubs@nrcresearchpress.com (Suresh B. Waghmode et al) — Wed, 05 Dec 2012 08:00:00 GMT

Canadian Journal of Chemistry, Volume 91, Issue 5, Page 348-351, May 2013.

Ethyl lactate as an environmentally friendly HPLC mobile-phase modifier in the analysis of acetaminophen, caffeine, and ASA

pubs@nrcresearchpress.com (Michael D. Judge et al) — Thu, 21 Feb 2013 08:00:00 GMT

Canadian Journal of Chemistry, Volume 91, Issue 5, Page 352-356, May 2013.

The use of intermediates obtained from aminoglycolysis of waste poly(ethylene terephthalate) (PET) for the synthesis of water-reducible alkyd resin

pubs@nrcresearchpress.com (Işıl Acar et al) — Tue, 27 Nov 2012 08:00:00 GMT

Canadian Journal of Chemistry, Volume 91, Issue 5, Page 357-363, May 2013.

Scanning tunneling microscopy tip-assisted modification of Ti(IV) dithiothreitol self-assembled monolayers on Au(111): restructuring of the gold surface

pubs@nrcresearchpress.com (M.L. Cappello et al) — Thu, 21 Feb 2013 08:00:00 GMT

Canadian Journal of Chemistry, Volume 91, Issue 5, Page 364-368, May 2013.