Harnessing desktop computers for ab initio calculation of vibrational IR/Raman spectra of large molecules Subodh S KhireNityananda SahuShridhar R Gadre Rapid Communication 02 November 2018 Article: 159
Quantum mechanical investigation of the nature of nucleobase-urea stacking interaction, a crucial driving force in RNA unfolding in aqueous urea Nitish AlodiaTanashree JaganadeU Deva Priyakumar Regular Article 01 November 2018 Article: 158
Syntheses, characterization, crystalline architectures and luminescence of two halidomercury(II) compounds containing a bidentate (N,O) chelator: variation in nuclearities and superstructures by varying halides Dipu SutradharHabibar ChowdhuryBarindra Kumar Ghosh Regular Article 30 October 2018 Article: 157
Base-free oxidation of 5-hydroxymethyl-2-furfural to 2,5-furan dicarboxylic acid over basic metal oxide-supported ruthenium catalysts under aqueous conditions Churchil Angel AntonyrajNhan Thanh Thien HuynhJin Ku Cho Regular Article 30 October 2018 Article: 156
Ab initio potential energy surface and quantum scattering studies of \(\hbox {Li}^{+}\) with \(\hbox {N}_{2}\): comparison with experiments at \(E_{\mathrm{c.m.}}= 2.47\,\hbox {eV}\) and 3.64 eV Abhinav KumarSanjay Kumar Regular Article 30 October 2018 Article: 155
Synthesis of aminomethylphenol derivatives via magnetic nano \(\hbox {Fe}_{3}\hbox {O}_{4}\) catalyzed one pot Petasis borono-Mannich reaction Priya ChackoKalegowda Shivashankar Regular Article 30 October 2018 Article: 154
Experimental and computational investigation of highly selective dual-channel chemosensor for Al(III) and Zn(II) ions: construction of logic gates Sambamoorthy SanthiSubbiah AmalaSabeel M Basheer Regular Article 30 October 2018 Article: 153
Phosphorus–nitrogen compounds. Part 41. Ferrocenyl pendant-armed spirocyclopiperidinocyclotriphosphazatrienes: Langmuir–Blodgett thin films and biological activity studies Nuran AsmafilizMehmet CivanTuncer Hökelek Regular Article 30 October 2018 Article: 152
Iron(III)-catalyzed selective direct olefination of dihydropyrimidinone with aromatic aldehyde Mohabul A MondalAbdul Ashik KhanKanchan Mitra Regular Article 30 October 2018 Article: 151
A sequential one-pot tandem approach for the synthesis of 4-tosyl-5-aryloxazoles from carboxylic acids Narasimhamurthy RajeevToreshettahally R SwaroopMaralinganadoddi P Sadashiva Regular Article 12 October 2018 Article: 150
\(\hbox {H}^{+} + \hbox {O}_2\) system revisited: four-state quasidiabatic potential energy surfaces and coupling potentials V C SaheerSanjay Kumar Regular Article 06 October 2018 Article: 149
