| 1 |
The (X)over-tilde(1)A(1), (a)over-tilde(3)B(1) and (A)over-tilde(1)B(1) electronic states of the aluminum dihydride anion
Hoffman BC, Yamaguchi Y, Schaefer HF
Journal of Physical Chemistry A, 103(12), 1886, 1999 |
| 2 |
Multicenter integration scheme for electronic structure calculations of periodic and nonperiodic polyatomic systems
Lin ZJ, Jaffe JE, Hess AC
Journal of Physical Chemistry A, 103(13), 2117, 1999 |
| 3 |
Analytical second derivatives of the free energy in solution by polarizable continuum models
Cossi M, Barone V
Journal of Chemical Physics, 109(15), 6246, 1998 |
| 4 |
Evaluation of analytic molecular orbital derivatives and gradients using the effective valence shell Hamiltonian method
Chaudhuri RK, Stevens JE, Freed KF
Journal of Chemical Physics, 109(22), 9685, 1998 |
| 5 |
The nature of the gallium-gallium triple bond
Xie JM, Grev RS, Gu JD, Schaefer HF, Schleyer PV, Su JR, Li XW, Robinson GH
Journal of the American Chemical Society, 120(15), 3773, 1998 |
| 6 |
Ab-Initio Direct Dynamics Study of Oh+hcl-)Cl+h2O
Steckler R, Thurman GM, Watts JD, Bartlett RJ
Journal of Chemical Physics, 106(10), 3926, 1997 |
| 7 |
A New Grid-Free Density-Functional Technique - Application to the Torsional Energy Surfaces of Ethane, Hydrazine, and Hydrogen-Peroxide
Werpetinski KS, Cook M
Journal of Chemical Physics, 106(17), 7124, 1997 |
| 8 |
Improving Harmonic Vibrational Frequencies Calculations in Density-Functional Theory
Stratmann RE, Burant JC, Scuseria GE, Frisch MJ
Journal of Chemical Physics, 106(24), 10175, 1997 |
| 9 |
Infrared-Spectrum and Structure of Me(2)TiCl(2) and Quantum-Mechanical Calculations of Geometries and Force-Fields for Meticl(3) and Me(2)TiCl(2)
Mcgrady GS, Downs AJ, Bednall NC, Mckean DC, Thiel W, Jonas V, Frenking G, Scherer W
Journal of Physical Chemistry A, 101(10), 1951, 1997 |
| 10 |
Ab-Initio Calculations and High-Resolution Infrared Investigation on Xef4
Burger H, Ma S, Breidung J, Thiel W
Journal of Chemical Physics, 104(13), 4945, 1996 |
