| 1621 |
|
Ab initio study of solvated molecules: a new implementation of the polarizable continuum model
|
Barone, V. Cossi, M. Cammi, R. Tomasi, J.
|
North Holland
|
1996
|
|
|
|
| 1622 |
|
Ab initio study of solvent kinetic isotope effects in microhydrated S~N2reactions
|
Okuno, Y
|
North Holland
|
1997
|
|
|
|
| 1623 |
|
Ab Initio Study of Stereo- and Regioselectivity in the Diels-Alder Reaction between 2-Phenylcyclopentadiene and �(Methylthio)acrylonitrile
|
Domingo, L. R
|
American Chemical Society [etc.]
|
1980
|
|
|
|
| 1624 |
|
Ab initio study of structural and thermal properties of ScAlO3 perovskite (5 pages)/
|
Magyari-K�pe, B
|
|
2001
|
|
|
|
| 1625 |
|
Ab initio study of structure in boron nitride, aluminum nitride and mixed aluminum boron nitride amorphous alloys/
|
Mcculloch, D G
|
American Institute of Physics
|
2000
|
|
|
|
| 1626 |
|
Ab initio study of the adducts of carbon monoxide with alkaline cations
|
Ferrari, A. M
|
American Institute of Physics
|
1980
|
|
|
|
| 1627 |
|
Ab initio study of the ammonia ion-ammonia reaction paths
|
Amor, N. B
|
American Institute of Physics
|
1980
|
|
|
|
| 1628 |
|
Ab Initio Study of the Axial/Equatorial Equilibrium in N- and O-Containing Rings in Gas Phase and Aqueous Solution: 1-Oxa-3-aza-, 1-Oxa-3,5-diaza-, 1,3-Dioxa-5-azacyclohexanes and N-Methyl Derivatives
|
Carballeira, L
|
American Chemical Society [etc.]
|
1980
|
|
|
|
| 1629 |
|
Ab initio study of the Bi-covered GaAs(111)B surface (7 pages)/
|
Miwa, R H
|
Published for the American Physical Society by the American Institute of Physics
|
2001
|
|
|
|
| 1630 |
|
Ab Initio study of the chloride nitrate anion
|
Seeley, J. V
|
American Institute of Physics
|
1980
|
|
|
|
| 1631 |
|
Ab initio study of the decomposition of formaldehyde
|
Yu, C.-H. Yu, J.-S. K.
|
North Holland
|
1997
|
|
|
|
| 1632 |
|
Ab initio study of the electronic spectrum of the PO~2 radical
|
Hirsch, G. Cai, Z.-L. Buenker, R. J.
|
North Holland
|
1996
|
|
|
|
| 1633 |
|
Ab initio study of the energetics and thermodynamics of hydrogen abstraction from fluoromethanes by O(3P). II: CFnH4-n+O(3P)→CFnH4-n.O→&z.rad;CFnH3-n+&z.radOH (n=0,1,2)/
|
Kreye, W C
|
North Holland
|
2001
|
|
|
|
| 1634 |
|
Ab-initio study of the energetics and thermodynamics of the reaction CF~3H + O(^3P) > CF~3H 桁�O -> CF~3 + OH
|
Kreye, W. C.
|
North Holland
|
1996
|
|
|
|
| 1635 |
|
Ab initio study of the energy hypersurface of uneven sulfuranes. Dissociation of HCl from Cl-SH (OH)-Cl
|
Lops, M. Csizmadia, I. G. Csonka, G. I. Kucsman, A.
|
North Holland
|
1994
|
|
|
|
| 1636 |
|
Ab initio study of the ground and several excited states of the NLi system
|
Matsika, S. Papakondylis, A. Mavridis, A.
|
North Holland
|
1996
|
|
|
|
| 1637 |
|
Ab initio study of the ground state and the first excited state of the rectangular (D2h)N4 molecule/
|
Bittererov�, Martina
|
North Holland
|
2001
|
|
|
|
| 1638 |
|
Ab initio study of the He(^1S)+CH(X^2� interaction
|
Cybulski, S. M
|
American Institute of Physics
|
1980
|
|
|
|
| 1639 |
|
Ab initio study of the influence of conformation on partial charge distribution of dioctadecylamine/
|
Huetz, P
|
North Holland
|
2003
|
|
|
|
| 1640 |
|
Ab initio study of the initial growth mechanism of silicon nitride on Si( 100) -(2 X I) using NH3 (9 pages)/
|
Widjaja, Yuniarto
|
Published for the American Physical Society by the American Institute of Physics
|
2001
|
|
|
|