1 - 4 |
Free energy basin-hopping Sutherland-Casha KH, Wales DJ, Chakrabarti D |
5 - 9 |
The boron-carbon-nitrogen heterocyclic rings Srivastava AK, Misra N |
10 - 13 |
CH-RES-TOCSY: Enantiomers spectral resolution and measurement of heteronuclear residual dipolar couplings Lokesh N, Suryaprakash N |
14 - 19 |
Enhanced spin thermoelectric effects in BN-embedded zigzag graphene nanoribbons Liu YS, Zhou WQ, Feng JF, Wang XF |
20 - 25 |
Relationship between unbranched alkane dimer interaction energies using different theoretical methods and correlations with thermodynamic properties Rojas L, Ruette F, Peraza A, Castellano O, Soscun H |
26 - 29 |
Reaction kinetics of the CN radical with primary alcohols Janssen E, Hershberger JF |
30 - 35 |
Antioxidant properties of xanthones extracted from the pericarp of Garcinia mangostana (Mangosteen): A theoretical study Thong NM, Quang DT, Bui NHT, Dao DQ, Nam PC |
36 - 40 |
Reduction of graphene oxide film with poly (vinyl alcohol) Il Ahn S, Kim K, Jung JR, Kang KY, Lee SM, Han JY, Choi KC |
41 - 47 |
High-resolution NMR spectroscopy via simultaneous acquisitions of intermolecular zero- and double-quantum coherence signals in inhomogeneous magnetic fields Wang CC, Zhang LD, Wei ZL, Lin LJ, Lin YQ, Chen Z |
48 - 52 |
Opening of an icosahedral boron framework: A combined infrared spectroscopic and computational study Fagiani MR, Zeonjuk LL, Esser TK, Gabel D, Heine T, Asmis KR, Warneke J |
53 - 57 |
Stack growth of aligned multiwalled carbon nanotubes using floating catalyst chemical vapor deposition technique Saheed MSM, Mohamed NM |
58 - 63 |
Size dependent nonlinear optical absorption in BaTiO3 nanoparticles Woldu T, Raneesh B, Sreekanth P, Reddy MVR, Philip R, Kalarikkal N |
64 - 68 |
Electronic and optical properties of the five most stable C-96 isomers Wang MQ, Zhou X, Tian WQ, Goddard JD |
69 - 72 |
Strain in strain-free benzenoid hydrocarbons: The case of phenanthrene Radenkovic S, Gutman I, Dordevic S |
73 - 77 |
Growth and mechanism of branched FeWO4@FeS core-shell nanostructures Qian JW, Peng ZJ, Fu XL |
78 - 83 |
A two-step electron-driven proton transfer mechanism for the solution-phase nonradiative decay process of squaraine molecule Ozawa H, Yashiro K, Yabushita S |
84 - 90 |
Light-induced growth of various silver seed nanoparticles: A simple method of synthesis of different silver colloidal SERS substrates Krajczewski J, Kolataj K, Kudelski A |
91 - 97 |
Big data reduction by fitting mathematical functions A search for appropriate functions to fit Ramachandran surfaces Ragyanszki A, Gerlei KZ, Suranyi A, Kelemen A, Jensen SJK, Csizmadia IG, Viskolcz B |
98 - 103 |
Applicability of Mulliken's formula for photoinduced and intramolecular charge-transfer energies Petsalakis ID, Theodorakopoulos G, Buchman O, Baer R |
104 - 109 |
Dissociation energy for O-2 release from gas-phase iron oxide clusters measured by temperature-programmed desorption experiments Koyama K, Kudoh S, Miyajima K, Mafune F |
110 - 115 |
Hydrogen fluoride capture by imidazolium acetate ionic liquid Chaban V |
116 - 120 |
The hydration properties of Gd(III) and Tb(III): An ab initio quantum mechanical molecular dynamics study Canaval LR, Passler PP, Rode BM |
121 - 127 |
On the influence of state-to-state distributions on exchange reaction rates in shock heated air flows Kunova O, Nagnibeda E |
128 - 131 |
Influence of charge state on catalytic properties of PtAu(CO)(n) in reduction of SO2 by CO Gao GP, Wei SH, Duan XM, Pan XY |
132 - 138 |
Investigation of potential energy landscapes of (H2O)(7)(-) and (H2O)(8)(-) clusters Shin BK, Choi TH |
139 - 142 |
Correlating structure and thermodynamics of hydrophobic-hydrophilic ion pairs in water Benjamin I |
143 - 146 |
Reaction pathway and free energy barrier for urea elimination in aqueous solution Yao M, Chen X, Zhan CG |
147 - 150 |
Irreversible temperature quenching and antiquenching of photoluminescence of ZnS/CdS:Mn/ZnS quantum well quantum dots Ding X, Dai RC, Zhao Z, Wang ZP, Sun ZQ, Zhang ZM, Ding ZJ |
151 - 156 |
Fluorenyl porphyrins for combined two-photon excited fluorescence and photosensitization Mongin O, Hugues V, Blanchard-Desce M, Merhi A, Drouet S, Yao DD, Paul-Roth C |
157 - 163 |
Toward predicting vertical detachment energies for superhalogen anions exclusively from 2-D structures Sikorska C |
164 - 167 |
Photodetachment velocity map imaging of the (1)A' <- (2)A' transitionin the AuOH anion Visser BR, Addicoat MA, Gascooke JR, Zhang X, Bowen K, Lawrance WD, Metha GF |
168 - 173 |
Effect of particle size reduction on the magnetic phase transition and the magnetocaloric properties in ferromagnetic insulator La0.9Sr0.1MnO3 nanoparticles Baaziz H, Tozri A, Dhahri E, Hlil EK |
174 - 178 |
Semiclassical dynamics of electron attachment to guanine-cytosine base pair Honda T, Minoshima Y, Yokoi Y, Takayanagi T, Shiga M |
179 - 185 |
Characterisation of the weak halogen bond in N-2 center dot center dot center dot ICF3 by pure rotational spectroscopy Anable JP, Hird DE, Stephens SL, Zaleski DP, Walker NR, Legon AC |
186 - 192 |
Organic solvent simulations under non-periodic boundary conditions: A library of effective potentials for the GLOB model Mancini G, Brancato G, Chandramouli B, Barone V |
193 - 201 |
Theoretical analysis through mathematical modeling of two-phase flow transport in an immobilized-cell photobioreactor Praveen T, Rajendran L |