1 - 5 |
Segmented all-electron Gaussian basis sets of double and triple zeta qualities for Fr, Ra, and Ac Campos CT, de Oliveira AZ, Ferreira IB, Jorge FE, Martins LSC |
6 - 10 |
Formation of glycine from HCN and H2O: A computational mechanistic study Lee HM, Choe JC |
11 - 14 |
An efficient electrode based on one-dimensional CoMoO4 nanorods for oxygen evolution reaction Liu XL, Yang YX, Guan SY |
15 - 19 |
Influence of electron correlation on the electronic and magnetic structures of nitric-oxide-adsorbed manganese phthalocyanine Li ZY, Jibran M, Sun X, Pratt A, Wang B, Yamauchi Y, Ding ZJ |
20 - 26 |
Enhanced hydrophilic and conductive properties of blue phosphorene doped with Si atom Zhang WX, Zhao JW, He WH, Luan LJ, He C |
27 - 34 |
Sulphuric acid-catalysed formation of hemiacetal from glyoxal and ethanol Sarrami F, Yu LJ, Wan WC, Karton A |
35 - 39 |
Au-13(8e): A secondary block for describing a special group of liganded gold clusters containing icosahedral Au-13 motifs Xu WW, Zeng XC, Gao Y |
40 - 45 |
Iterative combining rules for the van der Waals potentials of mixed rare gas systems Wei LM, Li P, Tang KT |
46 - 50 |
Hydrogen-bonded complexes with carbenes as electron-pair donors Del Bene JE, Alkorta I, Elguero J |
51 - 55 |
Emerging structural details of transient amyloid-beta oligomers suggest designs for effective small molecule modulators Chandra B, Haider S, Adler J, Korn A, Huster D, Maiti S |
56 - 62 |
Absorption cross sections and kinetics of formation of AlO at 298 K Martin JCG, Daly SM, Brooke JSA, Plane JMC |
63 - 68 |
Gap mode induced photocatalytic oxidation of p-alkyl thiophenol molecules on silver films Akai K, Futamata M |
69 - 74 |
Molecular inclusion process of urease inhibitors into cyclodextrins: A theoretical study Reis S, de Fatima A, Guimaraes L, Nascimento CS |
75 - 80 |
Introduction of carbon nano-tubes/graphenes cooperating conductive component into the phosphor to restrain the saturation behavior in low voltage cathodoluminescence Shang CY, Liu XX |
81 - 84 |
Fluorescence spectral shift of QD films with electron injection: Dependence on counterion proximity Lu ML, Li B, Zhang YX, Liu WL, Yang YQ, Wang YX, Yang QX |
85 - 91 |
Coupled 3D time-dependent quantum wave-packet study of the O plus OH reaction in hyperspherical coordinates on the CHIPR potential energy surface Ghosh S, Sharma R, Adhikari S, Varandas AJC |
92 - 97 |
A novel, eco-friendly technique for covalent functionalization of graphene nanoplatelets and the potential of their nanofluids for heat transfer applications Sadri R, Hosseini M, Kazi SN, Bagheri S, Zubir N, Ahmadi G, Dahari M, Zaharinie T |
98 - 103 |
Metachromasy of methylene blue due to aggregation over phosphate-modified polymeric carbon nitride Lakshminarasimhan N, Sangeetha DN, Nivetha G |
104 - 110 |
Photoisomerization of a small cyclic ketone in the vapor phase Chattopadhyay A, Mondal K, Samanta M, Chakraborty T |
111 - 117 |
On adduct formation and reactivity in the OCS plus OH reaction: A combined theoretical and experimental study Schmidt JA, Kyte M, Osterstrom FF, Joelsson LMT, Knap HC, Jorgensen S, Nielsen OJ, Murakami T, Johnson MS |
118 - 123 |
Quantum dynamics study on the binding of a positron to vibrationally excited states of hydrogen cyanide molecule Takayanagi T, Suzuki K, Yoshida T, Kita Y, Tachikawa M |
124 - 130 |
Structure and interaction in pathway of charged nanoparticles aggregation in saline water as probed by scattering techniques Abbas S, Yadav I, Kumar S, Aswal VK, Kohlbrecher J |
131 - 136 |
Switching properties of quinquephenylene molecular device - A first-principles approach Nagarajan V, Chandiramouli R |
137 - 144 |
Universal formulation of second-order generalized Moller-Plesset perturbation theory for a spin-dependent two-component relativistic many-electron Hamiltonian Nakano M, Seino J, Nakai H |
145 - 173 |
Catalysis in real time using X-ray lasers Nilsson A, LaRue J, Oberg H, Ogasawara H, Dell'Angela M, Beye M, Ostrom H, Gladh J, Norskov JK, Wurth W, Abild-Pedersen F, Pettersson LGM |
174 - 174 |
Lindemann's rule applied to the melting of crystals and ultra-stable glasses (vol 651, pg 198, 2016) Tournier RF |