| 1541 |
|
Ab initio quantum mechanical gas phase and reaction field solvation study on the proton abstraction from hydroxyacetaldehyde by formate: implications for enzyme catalysis
|
Peraekylae, M
|
Royal Society of Chemistry
|
1980
|
|
|
|
| 1542 |
|
Ab initio quantum mechanical investigation of the photodissociation of HI and DI
|
Balakrishnan, N
|
North Holland
|
2001
|
|
|
|
| 1543 |
|
Ab initio quantum mechanical studies of the kinetics and mechanisms of quartz dissolution: OH^- catalysis
|
Xiao, Y
|
Pergamon Press
|
1980
|
|
|
|
| 1544 |
|
Ab Initio Quantum Mechanical Study on the Origin of the pK~a Differencesof the Proton Sponges 1,8-Bis(dimethylamino)naphthalene, 1,8-Bis(dimethylamino)-2,7-dimethoxynaphthalene, 1,6-Dimethyl-1,6-diazacyclodecane, and 1,6-Diazabicyclo[4.4.4]tetradecane
|
Peraekylae, M
|
American Chemical Society [etc.]
|
1980
|
|
|
|
| 1545 |
|
Ab initio quantum mehanical vibrational analysis of planar AX~3 molecules (A is Al, Ga, In; X is F, Cl, Br, I)
|
Ystenes, B. K
|
Pergamon Press
|
1980
|
|
|
|
| 1546 |
|
Ab initio quartic force fields for anions: A benchmark study on ^1^6OH-,^1^8OH-, and ^1^6OD^-
|
Lee, T. J
|
American Institute of Physics
|
1980
|
|
|
|
| 1547 |
|
Ab initio relativistic effective potentials with spin-orbit operators. VII. Am through element 118
|
Nash, C. S
|
American Institute of Physics
|
1980
|
|
|
|
| 1548 |
|
Ab initio replica-exchange Monte Carlo method for cluster studies/
|
Ishikawa, Yasuyuki
|
|
2001
|
|
|
|
| 1549 |
|
Ab initio results for the adiabatic atom-surface inter- action for helium and neon on a simple metal
|
Montalenti, F
|
North-Holland Pub. Co
|
1980
|
|
|
|
| 1550 |
|
Ab initio scaling of the second hyperpolarizabilities of carbon cages
|
Fanti, M
|
American Institute of Physics
|
1980
|
|
|
|
| 1551 |
|
Ab initio SCF and DFT models of met-car adducts: Ti~8C^1^2(L)~n (L = Cl,NH~3, CO, C~6H~6; n = 4, 8)
|
Rohmer, M.-M. Bo, C. Benard, M. Poblet, J.-M.
|
North Holland
|
1996
|
|
|
|
| 1552 |
|
Ab initio shell model with a genuine three-nucleon force for the p-shell nuclei (13 pages)/
|
Navratil, P
|
Published for the American Physical Society by the American Institute of Physics
|
2003
|
|
|
|
| 1553 |
|
Ab initio simulation of first-order amorphous-to-amorphous phase transition of silicon (7 pages)/
|
Durandurdu, Murat
|
|
2001
|
|
|
|
| 1554 |
|
Ab initio simulation of molecular Auger spectra: Nuclear dynamics effects in the spectra of carbonyl sulfide
|
Minelli, D
|
American Institute of Physics
|
1980
|
|
|
|
| 1555 |
|
Ab initio Simulations of Homoepitaxial SiC Growth/
|
Righi, M. C
|
American Physical Society
|
2003
|
|
|
|
| 1556 |
|
Ab initio static polarizability and first hyperpolarizability of model polymethineimine chains. II. Effects of conformation and of substitution by donor/acceptor end groups
|
Jacquemin, D
|
American Institute of Physics
|
1980
|
|
|
|
| 1557 |
|
Ab initio statistical thermodynamical models for the computation of third-law entropies
|
East, A. L. L
|
American Institute of Physics
|
1980
|
|
|
|
| 1558 |
|
Ab initio structure determination of a peptide b-turn from powder X-ray diffraction data/
|
Tedesco
|
Royal Society of Chemistry
|
2001
|
|
|
|
| 1559 |
|
Ab initio structure determination of BiPb2VO6 from powder diffraction data/
|
Evans
|
Royal Society of Chemistry
|
2001
|
|
|
|
| 1560 |
|
Ab Initio Structure Determination of Li~2MnO~3 from X-ray Powder Diffraction Data
|
Massarotti, V
|
Munksgaard International Booksellers and Publishers
|
1980
|
|
|
|
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