| 1 |
Crossed-Beam Reaction of Carbon-Atoms with Hydrocarbon Molecules .3. Chemical-Dynamics of Propynylidyne (L-C3H X(2)II(J)) and Cyclopropynylidyne (C-C3H, X(2)B(2)) Formation from Reaction of C(P-3(J)) with Acetylene, C2H2(X(1)Sigma(+)(G))1-Sigma+g)
Kaiser RI, Ochsenfeld C, Headgordon M, Lee YT, Suits AG
Journal of Chemical Physics, 106(5), 1729, 1997 |
| 2 |
A Coupled-Cluster Ab-Initio Study of Triplet C3H2 and the Neutral-Neutral Reaction to Interstellar C3H
Ochsenfeld C, Kaiser RI, Lee YT, Suits AG, Headgordon M
Journal of Chemical Physics, 106(10), 4141, 1997 |
| 3 |
Linear Scaling Computation of the Fock Matrix .2. Rigorous Bounds on Exchange Integrals and Incremental Fock Build
Schwegler E, Challacombe M, Headgordon M
Journal of Chemical Physics, 106(23), 9708, 1997 |
| 4 |
Polarized atomic orbitals for self-consistent field electronic structure calculations
Lee MS, HeadGordon M
Journal of Chemical Physics, 107(21), 9085, 1997 |
| 5 |
Chebyshev expansion methods for electronic structure calculations on large molecular systems
Baer R, HeadGordon M
Journal of Chemical Physics, 107(23), 10003, 1997 |
| 6 |
Periodic boundary conditions and the fast multipole method
Challacombe M, White C, HeadGordon M
Journal of Chemical Physics, 107(23), 10131, 1997 |
| 7 |
A J-Matrix Engine for Density-Functional Theory Calculations
White CA, Headgordon M
Journal of Chemical Physics, 104(7), 2620, 1996 |
| 8 |
Rotating Around the Quartic Angular-Momentum Barrier in Fast Multipole Method Calculations
White CA, Headgordon M
Journal of Chemical Physics, 105(12), 5061, 1996 |
| 9 |
On the Nature of Electronic-Transitions in Radicals - An Extended Single Excitation Configuration-Interaction Method
Maurice D, Headgordon M
Journal of Physical Chemistry, 100(15), 6131, 1996 |
| 10 |
Quantum-Chemistry and Molecular Processes
Headgordon M
Journal of Physical Chemistry, 100(31), 13213, 1996 |
