T. Simeon

发表

Study of the Absorption of CO 2 by Amines with ab initio Theories

J. Leszczynski, R. Jaffe, T. Simeon, 2001 .

Local minima conformations of the Sc3N @C80 endohedral complex: Ab initio quantum chemical study and suggestions for experimental verification

J. Leszczynski, A. Kaczmarek, Y. Kholod, 2006 .

Nature of noncovalent interactions in catenane supramolecular complexes: calibrating the MM3 force field with ab initio, DFT, and SAPT methods.

M. Ratner, G. Schatz, T. Simeon, 2013, The journal of physical chemistry. A.

Structure and electronic spectra of purine-methyl viologen charge transfer complexes.

G. Schatz, Amy A Sarjeant, F. Lewis, 2014, The journal of physical chemistry. B.

Ab initio quantum chemical studies of fullerene molecules with substitutes C59X [XSi, Ge, Sn], C59X− [XB, Al, Ga, In], and C59X [XN, P, As, Sb]

Jerzy Leszczynski, Ilya Yanov, J. Leszczynski, 2005 .

Theoretical investigation into the structural, thermochemical, and electronic properties of the decathio[10]circulene.

J. Watts, Wilbur Walters, Q. L. Williams, 2011, The journal of physical chemistry. A.

Cumulative π‐π interaction triggers unusually high stabilization of linear hydrocarbons inside the single‐walled carbon nanotube

T. Dinadayalane, L. Gorb, H. Dodziuk, 2007 .

Potential Super-Toughness Behavior of Chiral (10,5) Carbon Nanotubes

Bruce C. Barker, R. Maier, David T Wu, 2006 .

Northwestern University Initiative for Teaching NanoSciences (NUITNS): An Approach for Teaching Computational Chemistry to Engineering Undergraduate Students

G. Schatz, C. Aikens, Christine M. Aikens, 2011 .