Showing results (2611-2620 of 5,977) with videos related to
Sort By:
Pageof 598
Journal of Computational Chemistry|February 6, 2014
Integrating open-source software applications to build molecular dynamics systemsBruce M Allen, Paul K Predecki, Maciej KumosaJournal of Computational Chemistry|April 23, 2014
Efficient 3D kinetic Monte Carlo method for modeling of molecular structure and dynamicsMikhail Panshenskov, Ilia A Solov'yov, Andrey V Solov'yovJournal of Computational Chemistry|April 23, 2014
On the induced-fit mechanism of substrate-enzyme binding structures of nylon-oligomer hydrolaseTakeshi Baba, Ryuhei Harada, Masayoshi Nakano, et al.Journal of Computational Chemistry|April 25, 2014
Acceleration of self-consistent field convergence in ab initio molecular dynamics simulation with multiconfigurational wave functionMasaki Okoshi, Hiromi NakaiJournal of Computational Chemistry|March 12, 2014
Quantitative investigation of bonding characteristics in ternary Zintl anions: charge and energy analysis of [Sn2E(15)(2)(ZnPh)](-) (E(15) = Sb, Bi) and [Sn2Sb5(ZnPh)2](3-)Marc Raupach, Stefanie Dehnen, Ralf TonnerJournal of Computational Chemistry|March 20, 2014
The cyclic cluster model at Hartree-Fock levelMichael F Peintinger, Thomas BredowJournal of Computational Chemistry|March 20, 2014
Quantum-chemical analyses of aromaticity, UV spectra, and NMR chemical shifts in plumbacyclopentadienylidenes stabilized by Lewis basesToshiaki Kawamura, Minori Abe, Masaichi Saito, et al.Journal of Computational Chemistry|March 20, 2014
Exchange coupling and magnetic anisotropy in a family of bipyrimidyl radical-bridged dilanthanide complexes: density functional theory and ab initio calculationsYi-Quan Zhang, Cheng-Lin Luo, Qiang ZhangJournal of Computational Chemistry|June 10, 2021
Exploring the molecular basis of UG-rich RNA recognition by the human splicing factor TDP-43 using molecular dynamics simulation and free energy calculationHan Sun, Wei Chen, Lin Chen, et al.Journal of Computational Chemistry|May 14, 2008
Structure and dynamics of phosphate ion in aqueous solution: an ab initio QMCF MD studyAndreas B Pribil, Thomas S Hofer, Bernhard R Randolf, et al.Pageof 598