| 1 |
Influence of the oxygen at the C8 position on the intramolecular proton transfer in C8-oxidative guanine
Gu JD, Leszczynski J
Journal of Physical Chemistry A, 103(5), 577, 1999 |
| 2 |
Analytical energy gradients for local second-order Moller-Plesset perturbation theory
El Azhary A, Rauhut G, Pulay P, Werner HJ
Journal of Chemical Physics, 108(13), 5185, 1998 |
| 3 |
An ab initio molecular orbital study of even-membered hydrogen cluster cations : H-6(+), H-8(+), H-10(+), H-12(+), and H-14(+)
Kurosaki Y, Takayanagi T
Journal of Chemical Physics, 109(11), 4327, 1998 |
| 4 |
Direct dynamics study of the dissociation and elimination channels in the thermal decomposition of methyl nitrite
Fernandez-Ramos A, Martinez-Nunez E, Rios MA, Rodriguez-Otero J, Vazquez SA, Estevez CM
Journal of the American Chemical Society, 120(30), 7594, 1998 |
| 5 |
Reactions of Laser-Ablated Boron Atoms with Methanol - Infrared-Spectra and Ab-Initio Calculations of Ch3Bo, Ch2Boh, and Ch2Bo in Solid Argon
Lanzisera DV, Andrews L
Journal of Physical Chemistry A, 101(8), 1482, 1997 |
| 6 |
Hydroxide Attack on Acetylene - Theoretical Structures and Energies
Dolgounitcheva O, Zakrzewski VG, Ortiz JV
Journal of Physical Chemistry A, 101(9), 1758, 1997 |
| 7 |
Reactions of Laser-Ablated Aluminum Atoms with Ammonia - Infrared-Spectra of Halnh2, Alnh2, and Halnh in Solid Argon
Lanzisera DV, Andrews L
Journal of Physical Chemistry A, 101(28), 5082, 1997 |
| 8 |
Reactions of Laser-Ablated Beryllium Atoms with Hydrogen-Cyanide in Excess Argon - FTIR Spectra and Quantum-Chemical Calculations on Becn, Benc, Hbecn, and Hbenc
Lanzisera DV, Andrews L
Journal of the American Chemical Society, 119(27), 6392, 1997 |
| 9 |
H(2)Xo and (CH3)(2)Xo Compounds (X=c, Si, Ge, Sn, Pb) - Double-Bonds vs Carbene-Like Structures - Can the Metal-Compounds Exist at All
Kapp J, Remko M, Schleyer PV
Journal of the American Chemical Society, 118(24), 5745, 1996 |
| 10 |
Coupled-Cluster Theory Employing Approximate Integrals - An Approach to Avoid the Input/Output and Storage Bottlenecks
Rendell AP, Lee TJ
Journal of Chemical Physics, 101(1), 400, 1994 |
