المؤلفون: Qiu, Yudong, Smith, Daniel G. A., Stern, Chaya D., Feng, Mudong, Jang, Hyesu, Wang, Lee-Ping

المصدر: Journal of Chemical Physics; 6/28/2020, Vol. 152 Issue 24, p1-13, 13p, 1 Diagram, 1 Chart, 6 Graphs

مصطلحات موضوعية: MOLECULAR force constants, QUANTUM mechanics/molecular mechanics, POTENTIAL energy surfaces, DIHEDRAL angles, MOLECULAR shapes

المؤلفون: Schauperl, Michael, Nerenberg, Paul S., Jang, Hyesu, Wang, Lee-Ping, Bayly, Christopher I., Mobley, David L., Gilson, Michael K.

المصدر: Communications Chemistry; 4/3/2020, Vol. 3 Issue 1, p1-11, 11p

مصطلحات موضوعية: MOLECULAR force constants, ELECTRIC potential, QUANTUM mechanics, CONDENSED matter, MOLECULAR dynamics

المؤلفون: Mu, Xiaojiao¹, Wang, Qiantao¹, Wang, Lee-Ping¹, Fried, Stephen D.¹, Piquemal, Jean-Philip¹, Dalby, Kevin N.¹, Ren, Pengyu¹

المصدر: Journal of Physical Chemistry B. Jun2014, Vol. 118 Issue 24, p6456-6465. 10p.

مصطلحات موضوعية: *ORGANOCHLORINE compounds, *MOLECULAR force constants, *HALOGENS, *CHARGE density waves, *ELECTRON donors, *VAN der Waals forces