Showing results (2451-2460 of 5,977) with videos related to
Sort By:
Pageof 598
Journal of Computational Chemistry|September 12, 2013
Analytic projection from plane-wave and PAW wavefunctions and application to chemical-bonding analysis in solidsStefan Maintz, Volker L Deringer, Andrei L Tchougréeff, et al.Journal of Computational Chemistry|July 22, 2014
Coupled-cluster frozen-density embedding using resolution of the identity methodsSebastian HöfenerJournal of Computational Chemistry|July 22, 2014
Coarse-grained molecular dynamics simulations of protein-ligand bindingTatsuki Negami, Kentaro Shimizu, Tohru TeradaJournal of Computational Chemistry|July 24, 2014
To be or not to be butterfly: New mechanistic insights in the Aza-Michael asymmetric addition of lithium (R)-N-benzyl-N-(α-methylbenzyl)amideCarlos T Nieto, David Díez, Narciso M GarridoJournal of Computational Chemistry|July 26, 2014
Basis set error estimation for DFT calculations of electronic g-tensors for transition metal complexesMorten N Pedersen, Erik D Hedegård, Jacob KongstedJournal of Computational Chemistry|July 29, 2014
Factors affecting the computation of the 13C shielding in disaccharidesPablo G Garay, Osvaldo A Martin, Harold A Scheraga, et al.Journal of Computational Chemistry|August 12, 2014
SurfKin: an ab initio kinetic code for modeling surface reactionsThong Nguyen-Minh Le, Bin Liu, Lam K HuynhJournal of Computational Chemistry|August 12, 2014
Adsorption of small molecules on helical gold nanorods: a relativistic density functional studyXiao-Jing Liu, Ian HamiltonJournal of Computational Chemistry|December 3, 2013
Development and use of an atomistic CHARMM-based forcefield for peptoid simulationDina T Mirijanian, Ranjan V Mannige, Ronald N Zuckermann, et al.Journal of Computational Chemistry|January 4, 2012
Very efficient search for protein alignment--VESPAM RandićPageof 598