1 - 4 |
Molecular vibrational dynamics in water studied by femtosecond coherent anti-Stokes Raman spectroscopy Zhao Y, Zhang S, Zhou BY, Dong ZW, Chen DY, Zhang ZH, Xia YQ |
5 - 9 |
Elucidating the interaction of H2O2 with polar amino acids - Quantum chemical calculations Karmakar T, Balasubramanian S |
10 - 14 |
Effect of electric field to infrared absorption properties of sodium nitrate on silver/diamond powder (Ag/DP) composites Xu MC, Wang JS, Li C, Zhang J, Liu YF, Yuan G |
15 - 18 |
Electron and hole mobility edges in polyethylene from material simulations Unge M, Christen T |
19 - 23 |
High electrical permittivity of ultrapure water at the water-platinum interface Musumeci F, Pollack GH |
24 - 28 |
Endohedral metallofullerene Sc3NC@C-82: A theoretical prediction Meng QY, Sun XY, Wang CY, Wang DL |
29 - 33 |
Theoretical studies of 2-quinolinol: Geometries, vibrational frequencies, isomerization, tautomerism, and excited states Pan Y, Lau KC, Al-Mogren MM, Mahjoub A, Hochlaf M |
34 - 39 |
Photoinduced rotamerization and dissociation of o-fluorobenzoyl chloride in solid Ar Tanaka N, Nakamura K, Yutaka M, Nishikiori H |
40 - 44 |
Electroluminescence of carbon'quantum' dots - From materials to devices Veca LM, Diac A, Mihalache I, Wang P, LeCroy GE, Pavelescu EM, Gavrila R, Vasile E, Terec A, Sun YP |
45 - 53 |
Hydrogen bonding of the naphthalene radical cation to water and methanol and attachment of the naphthalene ion to extended hydrogen bonding chains Attah IK, Platt SP, Meot-Ner M, El-Shall MS, Aziz SG, Alyoubi AO |
54 - 58 |
Improvement of photocatalytic activity of NaTaO3 under visible light by N and F doping Modak B, Ghosh SK |
59 - 63 |
Magic numbers in small iron clusters: A first-principles study Kim E, Mohrland A, Weck PF, Pang T, Czerwinski KR, Tomanek D |
64 - 69 |
Role of oxygen in Cu(110) surface restructuring in the vicinity of step edges Li L, Cai N, Saidi WA, Zhou GW |
70 - 73 |
Step-Scan FTIR spectroscopy and quantum chemical calculations of xanthone in the triplet state Buschhaus L, Kleinermanns K |
74 - 79 |
Indirect-direct bandgap transition and gap width tuning in bilayer MoS2 superlattices Jiang JT, Xiu SL, Zheng MM, Jia TT, Liu HY, Zhang Y, Chen G |
80 - 85 |
Resonance-enhanced multiphoton ionization spectroscopy of laser-ablated copper atoms Andrejeva A, Harris JP, Wright TG |
86 - 89 |
Microwave spectrum and molecular structure parameters for the 1,2-cyclohexanedione (monoenolic)-formic acid dimer Pejlovas AM, Barfield M, Kukolich SG |
90 - 94 |
Competitive solvation of (bis)(trifluoromethanesulfonyl)imide anion by acetonitrile and water Chaban V |
95 - 99 |
Volume-confined synthesis of ligand-free gold nanoparticles with tailored sizes for enhanced catalytic activity Shaik F, Zhang WQ, Niu WX, Lu XM |
100 - 103 |
Reversible resistive switching behaviors of multiferroic single-crystalline BiCoO3 microribbons Sun B, Zhao WX, Li HW, Wei LJ, Chen P |
104 - 109 |
The effect of local substrate motion on quantum hydrogen transfer in soybean lipoxygenase-1 modeled with QTES-DFTB dynamics Mazzuca JW, Garashchuk S, Jakowski J |
110 - 114 |
Theoretical design of visible light driven azobenzene-based photo-switching molecules Pang J, Tian ZQ, Ma J |
115 - 121 |
Interaction of fluorescence dyes with 5-fluorouracil: A photoinduced electron transfer study in bulk and biologically relevant water Kuchlyan J, Banik D, Kundu N, Roy A, Sarkar N |
122 - 126 |
Isomer effect of propanol on liquid-liquid equilibrium in hydrophobic room-temperature ionic liquids Ozawa S, Kishimura H, Kitahira S, Tamatani K, Hirayama K, Abe H, Yoshimura Y |
127 - 132 |
In vitro monitoring of ring opening of leflunomide: A surface enhanced Raman scattering and DFT based approach Sharma P, Gangopadhyay D, Singh P, Mishra PC, Deckert V, Popp J, Singh RK |
133 - 138 |
Ab initio potential energy surface for the carbon dioxide molecule pair and thermophysical properties of dilute carbon dioxide gas Hellmann R |
139 - 145 |
Theoretical investigation on the bond dissociation enthalpies of phenolic compounds extracted from Artocarpus altilis using ONIOM(ROB3LYP/6-311++G(2df, 2p): PM6) method Thong NM, Duong T, Pham LT, Nam PC |