PUBLICATIONS

A Twist of the Twist Mechanism, 2-Iodoxybenzoic Acid (IBX)-Mediated Oxidation of Alcohol Revisited: Theory and Experiment

H. Jiang, T. Sun, X. Wang, Y. Xie, X. Zhang, Y. Wu, and H. F. Schaefer

Org. Lett. 19, 6502 (2017)

Radicals derived from acetaldehyde and vinyl alcohol

M. L. Estep, W. J. Morgan, A. T. Winkles, A. S. Abbott, N. Villegas-Escobar, J. W. Mullinax, W. E. Turner, X. Wang, J. M. Turney, and H. F. Schaefer

Phys. Chem. Chem. Phys. 19, 27275 (2017)

Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability

R. M. Parrish, L. A. Burns, D. G. A. Smith, A. C. Simmonett, A. E. DePrince, E. G. Hohenstein, U. Bozkaya, A. Y. Sokolov, R. D. Remigio, R. M. Richard, J. F. Gonthier, A. M. James, H. R. McAlexander, A. Kumar, M. Saitow, X. Wang, B. P. Pritchard, P. Verma, H. F. Schaefer, K. Patkowski, R. A. King, E. F. Valeev, F. A. Evangelista, J. M. Turney, T. D. Crawford, and C. D. Sherrill

J. Chem. Theory Comput. 13, 3185 (2017)

Spin-Adapted Formulation and Implementation of Density Cumulant Functional Theory with Density-Fitting Approximation: Application to Transition Metal Compounds

X. Wang, A. Y. Sokolov, J. M. Turney, and H. F. Schaefer

J. Chem. Theory Comput. 12, 4833 (2016)

Characterizing a nonclassical carbene with coupled cluster methods: cyclobutylidene

X. Wang, J. Agarwal, and H. F. Schaefer

Phys. Chem. Chem. Phys. 18, 24560 (2016)

1, 1‐Dilithioethylene: Toward Spectroscopic Identification of the Definitive Singlet Ground Electronic State of a Peculiar Structure

Y. Liu, X. Wang, Y. Liu, R. Zhong, Y. Xie, and H. F. Schaefer

ChemPhysChem 17, 1623 (2016)

Why does Togni’s reagent I exist in the high-energy hypervalent iodine form? Re-evaluation of benziodoxole based hypervalent iodine reagents

T. Sun, X. Wang, H. Geng, Y. Xie, Y. Wu, X. Zhang, and H. F. Schaefer

Chem. Commun. 52, 5371 (2016)

Twisted Triplet Ethylene: Anharmonic Frequencies and Spectroscopic Parameters for C2H4, C2D4, and 13C2H4

X. Wang, W. E. Turner, J. Agarwal, and H. F. Schaefer

J. Phys. Chem. A 118, 7560 (2014)

Photo-induced water–oil separation based on switchable superhydrophobicity–superhydrophilicity and underwater superoleophobicity of the aligned ZnO nanorod array-coated mesh films

D. Tian, X. Zhang, Y. Tian, Y. Wu, X. Wang, J. Zhai, and L. Jiang

J. Mater. Chem. 22, 19652 (2012)

Functionalized gold nanoparticles as nanosensor for sensitive and selective detection of silver ions and silver nanoparticles by surface-enhanced Raman scattering

E. Tan, P. Yin, X. Lang, X. Wang, T. You, and L. Guo

Analyst 137, 3925 (2012)

Micro/nanoscale hierarchical structured ZnO mesh film for separation of water and oil

D. Tian, X. Zhang, X. Wang, J. Zhai, and L. Jiang

Phys. Chem. Chem. Phys. 13, 14606 (2011)