| 1501 |
|
Ab initio molecular orbital study on the H~2 loss reaction from ethane cation, C~2H^+~6
|
Kurosaki, Y
|
North Holland
|
1997
|
|
|
|
| 1502 |
|
Ab initio molecular orbital study on the mechanism of amide hydrolysis dependent on leaving groups
|
Hori, K
|
Pergamon Press
|
1980
|
|
|
|
| 1503 |
|
Ab initio MO studies of neutral and anionic SiC~n clusters (n=2-5)
|
Gomel, M
|
American Institute of Physics
|
1980
|
|
|
|
| 1504 |
|
Ab initio MO studies of Si~4NO^+ clusters
|
Wang, W.-N. Fan, K.-N. Iwata, S.
|
North Holland
|
1997
|
|
|
|
| 1505 |
|
Ab initio MO studies on the photodissociation of C~2H~2 from the S~1 (^1A~u) state. II. Mechanism involving triplet states
|
Morokuma, K. Cui, Q.
|
North Holland
|
1997
|
|
|
|
| 1506 |
|
Ab initio MO studies on the photodissociation of C~2H~2 from the S~1 (^1A~u) state. Non-adiabatic effects and S-T interaction
|
Morokuma, K. Stanton, J. F. Cui, Q.
|
North Holland
|
1996
|
|
|
|
| 1507 |
|
Ab initio MO studies on the photodissociation of the methoxy family CX~3Y (X = H, F; Y = O, S) from the A^2A~1 state
|
Morokuma, K. Cui, Q.
|
North Holland
|
1996
|
|
|
|
| 1508 |
|
Ab-Initio MO Study of the Peracid Oxidation of Dimethyl Thiosulfinate
|
Benassi, R
|
American Chemical Society [etc.]
|
1980
|
|
|
|
| 1509 |
|
Ab initio MRD-CI study of excited states of chloromethanol ClCH2OH and photofragmentation along C-O and C-Cl cleavage/
|
Schnell, Melanie
|
North Holland
|
2001
|
|
|
|
| 1510 |
|
Ab initio MRD-CI study of the electronic states of the gallium dimer
|
Das, K. K
|
IOP Pub
|
1980
|
|
|
|
| 1511 |
|
Ab initio MRD-CI study on the low-lying excited states of ClNO2/
|
Lesar, A
|
North Holland
|
2004
|
|
|
|
| 1512 |
|
Ab initio MRSD-CI calculations of the ground and the two lowest-lying excited states of pyrene/
|
Bito, Yasumasa
|
North Holland
|
2000
|
|
|
|
| 1513 |
|
Ab initio MRSDCI calculations of the g-tensor components of [Cu(H~2O)~6]^2^+ complexes
|
Tachikawa, H.
|
North Holland
|
1996
|
|
|
|
| 1514 |
|
Ab initio multichannel quantum defects for the ^1A~1 Rydberg states of H~2O
|
Petsalakis, I. D
|
IOP Pub
|
1980
|
|
|
|
| 1515 |
|
Ab initio NMR Chemical Shift of Diamond, Chemical-Vapor-Deposited Diamond, and Amorphous Carbon
|
Mauri, F
|
American Physical Society
|
1980
|
|
|
|
| 1516 |
|
Ab initio numerical simulation of left-handed metamaterials: Comparison of calculations and experiments/
|
Weiland, T
|
American Institute of Physics
|
2001
|
|
|
|
| 1517 |
|
Ab initio origin of optical anisotropy in Ag(110) (6 pages)/
|
Bouarab, S
|
|
2001
|
|
|
|
| 1518 |
|
Ab initio oscillator strengths for transitions between J = 1 odd and J = 1,2 even excited states of Ne I (4 pages)/
|
Savukov, I. M
|
Published by the American Physical Society through the American Institute of Physics
|
2003
|
|
|
|
| 1519 |
|
Ab initio path integral molecular dynamics: Basic ideas
|
Marx, D
|
American Institute of Physics
|
1980
|
|
|
|
| 1520 |
|
Ab initio path integral study of isotope effect of hydronium ion
|
Shiga, M
|
North Holland
|
2003
|
|
|
|