Henry F. Schaefer III

Jiande Gu, Jing Wang, Yaoming Xie, Jerzy Leszczynski, Henry F. Schaefer III: Structural and electronic property responses to the arsenic/phosphorus exchange in GC-related DNA of the B-form. Journal of Computational Chemistry 33(8): 817-821 (2012)

Qiang Hao, Andrew C. Simmonett, Yukio Yamaguchi, De-Cai Fang, Henry F. Schaefer III: From acetylene complexes to vinylidene structures: The GeC₂H₂ system. Journal of Computational Chemistry 32(1): 15-22 (2011)

Chaitanya S. Wannere, Ankan Paul, Rainer Herges, K. N. Houk, Henry F. Schaefer III, Paul von Ragué Schleyer: The existence of secondary orbital interactions. Journal of Computational Chemistry 28(1): 344-361 (2007)

Veronika Kasalová, Wesley D. Allen, Henry F. Schaefer III, Eszter Czinki, Attila G. Császár: Molecular structures of the two most stable conformers of free glycine. Journal of Computational Chemistry 28(8): 1373-1383 (2007)

H. Lee Woodcock III, Milan Hodoscek, Andrew T. B. Gilbert, Peter M. W. Gill, Henry F. Schaefer III, Bernard R. Brooks: Interfacing Q-Chem and CHARMM to perform QM/MM reaction path calculations. Journal of Computational Chemistry 28(9): 1485-1502 (2007)

Veronika Kasalová, Henry F. Schaefer III: Structures and electron affinities of the di-arsenic fluorides As₂F_n/As₂F_n-(n = 1-8). Journal of Computational Chemistry 26(5): 411-435 (2005)

Michael S. Schuurman, Wesley D. Allen, Henry F. Schaefer III: The ab initio limit quartic force field of BH3. Journal of Computational Chemistry 26(11): 1106-1112 (2005)

Yi Zhao, Wenguo Xu, Qian-Shu Li, Yaoming Xie, Henry F. Schaefer III: The arsenic clusters Asn (n = 1-5) and their anions: Structures, thermochemistry, and electron affinities. Journal of Computational Chemistry 25(7): 907-920 (2004)

Qian-Shu Li, Rui-Hua Lü, Yaoming Xie, Henry F. Schaefer III: Molecules for materials: Germanium hydride neutrals and anions. Molecular structures, electron affinities, and thermochemistry of GeHn/GeHn- (n = 0-4) and Ge2Hn/Ge2Hn- (n = 0-6). Journal of Computational Chemistry 23(16): 1642-1655 (2002)

Matthew L. Leininger, C. David Sherrill, Wesley D. Allen, Henry F. Schaefer III: Systematic Study of Selected Diagonalization Methods for Configuration Interaction Matrices. Journal of Computational Chemistry 22(13): 1574-1589 (2001)

Horst M. Sulzbach, George Vacek, Peter R. Schreiner, John Morrison Galbraith, Paul von Ragué Schleyer, Henry F. Schaefer III: NMR chemical shielding surface of N-Acetyl-N-Methylalaninamide: A density functional study. Journal of Computational Chemistry 18(1): 126-138 (1997)

Henry F. Schaefer III, William H. Miller: Large scale scientific computation via minicomputer. Computers & Chemistry 1(2): 85-90 (1977)