Showing results 1 to 5 of 5
Advances in methods and algorithms in a modern quantum chemistry program package Shao, Y; Molnar, LF; Jung, Yousung; Kussmann, J; Ochsenfeld, C; Brown, ST; Gilbert, ATB; et al, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, v.8, no.27, pp.3172 - 3191, 2006 |
Advances in molecular quantum chemistry contained in the Q-Chem 4 program package Shao, Yihan; Gan, Zhengting; Epifanovsky, Evgeny; Gilbert, Andrew T. B.; Wormit, Michael; Kussmann, Joerg; Lange, Adrian W.; et al, MOLECULAR PHYSICS, v.113, no.2, pp.184 - 215, 2015-01 |
Development of Force Field Parameters for Oxyluciferin on its Electronic Ground and Excited States Song, Chang-Ik; Rhee, Young Min, INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, v.111, no.15, pp.4091 - 4105, 2011-12 |
Dispersion-Oriented Soft Interaction in a Frustrated Lewis Pair and the Entropic Encouragement Effect in its Formation Kim, Hyun Woo; Rhee, Young Min, CHEMISTRY-A EUROPEAN JOURNAL, v.15, no.48, pp.13348 - 13355, 2009 |
Noncovalent Interactions of DNA Bases with Naphthalene and Graphene Cho, Yeonchoo; Min, Seung Kyu; Yun, Jeonghun; Kim, Woo Youn; Tkatchenko, Alexandre; Kim, Kwang S., JOURNAL OF CHEMICAL THEORY AND COMPUTATION, v.9, no.4, pp.2090 - 2096, 2013-04 |
Discover