Showing results (811-820 of 6,945) with videos related to
Sort By:
Pageof 695
Journal of Molecular Modeling|November 29, 2012
Optimization of parameters for semiempirical methods VI: more modifications to the NDDO approximations and re-optimization of parametersJames J P StewartJournal of Molecular Modeling|September 17, 2014
A post-HF study on the interaction of iodine with small polyaromatic hydrocarbonsBerkay Sütay, Mine Yurtsever, Ersin YurtseverJournal of Molecular Modeling|October 8, 2014
Reaction of Np atom with H₂O in the gas phase: reaction mechanisms and ab initio molecular dynamics studyPeng Li, Wenxia Niu, Tao Gao, et al.Journal of Molecular Modeling|September 13, 2014
The Effect of the different spin multiplicity on nonlinear optical properties of lithium decahydroborate dimersYong Li, Hong-Liang Xu, Rong-Lin Zhong, et al.Journal of Molecular Modeling|October 16, 2014
The role of NH3 and hydrocarbon mixtures in GaN pseudo-halide CVD: a quantum chemical studyOleg B Gadzhiev, Peter G Sennikov, Alexander I Petrov, et al.Journal of Molecular Modeling|September 10, 2014
Theoretical investigation on the selective detection of SO2 molecule by AlN nanosheetsSomayeh F Rastegar, Nasser L Hadipour, Hamed SoleymanabadiJournal of Molecular Modeling|August 18, 2014
Structural and dynamical properties of Li+-dibenzo-18-crown-6(DB18C6) complex in pure solvents and at the aqueous-organic interfacePooja Sahu, Sk M Ali, Jayant K SinghJournal of Molecular Modeling|August 18, 2014
Computational investigation of interaction of polypyrrole on the surface of single-walled carbon nanotubeManoj K Shukla, Veera Boddu, Frances HillJournal of Molecular Modeling|August 18, 2014
Evidence of a long C-C attractive interaction in cerussite mineral: QTAIM and ELF analysesIsaac Vidal, Antonio Sánchez NavasJournal of Molecular Modeling|June 1, 2013
DFT calculation of the electronic properties of fluorene-1,3,4-thiadiazole oligomersNora Aydeé Sánchez-Bojorge, Luz María Rodríguez-Valdez, Norma Flores-HolguínPageof 695