991 |
Combined effects of dopants and electric field on interactions of dopamine with graphene Wang Q, Wang MH, Lu X, Wang KF, Fang LM Chemical Physics Letters, 685, 385, 2017 |
992 |
A DFT investigation on geometry and chemical bonding of isoelectronic Si8N6V-, Si8N6Cr, and Si8N6Mn+ clusters Tam NM, Pham HT, Cuong NT, Tung NT Chemical Physics Letters, 685, 410, 2017 |
993 |
Energy decomposition analysis of the interactions in adduct ions of acetophenone and Na+, NH4+ and H+ in the gas phase Sugimura N, Igarashi Y, Aoyama R, Shibue T Chemical Physics Letters, 684, 20, 2017 |
994 |
Interaction of aromatic molecules with small gold clusters Molina LM, Lopez MJ, Alonso JA Chemical Physics Letters, 684, 91, 2017 |
995 |
Complexation of nicotinic acid with first generation poly(amidoamine) dendrimers: A microscopic view from density functional theory Badalkhani-Khamseh F, Bahrami A, Ebrahim-Habibi A, Hadipour NL Chemical Physics Letters, 684, 103, 2017 |
996 |
Theoretical analysis of CO interaction with second-row dicarbides C2X (X = Na-Cl) Parida SK, Sahu S Chemical Physics Letters, 684, 153, 2017 |
997 |
Metallic modification of molybdenum disulfide monolayer via doping charge carriers: A DFT investigation Shekaari A, Abolhassani MR Chemical Physics Letters, 684, 158, 2017 |
998 |
Magnetic coupling constants for MnO as calculated using hybrid density functional theory Logsdail AJ, Downing CA, Catlow CRA, Sokol AA Chemical Physics Letters, 690, 47, 2017 |
999 |
A theoretical investigation on bio-transformation of third generation anti-cancer drug Heptaplatin and its interaction with DNA purine bases Reddy BVP, Mukherjee S, Mitra I, Moi SC Chemical Physics Letters, 690, 105, 2017 |
1000 |
Computational investigations of S-3 structures related to a recent X-ray free electron laser study Siegbahn PEM Chemical Physics Letters, 690, 172, 2017 |