| 1321 |
|
Ab initio and DFT computer studies of complexes of quaternary nitrogen cations: trimethylammonium, tetramethylammonium, trimethylethylammonium, choline and acetylcholine with hydroxide, fluoride and chloride anions/
|
Davies, A. S
|
Royal Society of Chemistry
|
2003
|
|
|
|
| 1322 |
|
Ab initio and DFT studies for accurate description of van der Waals interaction between He atoms/
|
Kurita, Noriyuki
|
North Holland
|
2001
|
|
|
|
| 1323 |
|
Ab initio and DFT studies of the weakly bound nitrogen molecule complexes (N2)n (n=3-6)/
|
Li, Q
|
North Holland
|
2003
|
|
|
|
| 1324 |
|
Ab initio and DFT study of molecular structure and tautomerism of 2-amino-2-imidazoline, 2-amino-2-oxazoline and 2-amino-2-thiazoline/
|
Remko, Milan
|
North Holland
|
2001
|
|
|
|
| 1325 |
|
Ab initio and DFT study of the ground 3A' potential energy surface for the O(3P)+N2O->2NO reaction/
|
Gonz�lez, Miguel
|
North Holland
|
2001
|
|
|
|
| 1326 |
|
Ab initio and hybrid density functional theory studies of the forward and reverse barriers for the C~2H~4 + H -> C~2H~5 reaction
|
Jursic, B. S
|
Royal Society of Chemistry
|
1980
|
|
|
|
| 1327 |
|
Ab initio and hybrid DFT study on the electronic states of fluorenone-Na complexes/
|
Kawabata, H
|
Royal Society of Chemistry
|
2003
|
|
|
|
| 1328 |
|
Ab initio and kinetic calculations for the reactions of H with SiH(4-n)Fn (n=1-3
|
Zhang
|
Royal Society of Chemistry
|
2001
|
|
|
|
| 1329 |
|
Ab initio and model investigation of acetylene clustering around hydrogen cyanide/
|
Schroeder, W. P
|
North Holland
|
2003
|
|
|
|
| 1330 |
|
Ab initio and model investigation of acetylene clustering around hydrogen cyanide/
|
Schroeder, W. P
|
North Holland
|
2003
|
|
|
|
| 1331 |
|
Ab Initio and Molecular Mechanics Study of Conformational Selectivity of Chlorinated Compounds Adsorbed in the Clathrate Phase of Syndiotactic Polystyrene. The Role of Electrostatic Host-Guest Interactions/
|
Milano, G
|
Huthig ＆ Wepf
|
2001
|
|
|
|
| 1332 |
|
Ab initio and spectroscopic studies of bis(4,4-dimethyl-2,5-cyclohexadiene-1-ylidene) /
|
부봉현
|
忠南大學校 基礎科學硏究所
|
1995
|
|
|
|
| 1333 |
|
Ab initio anharmonic intermolecular potential of the C2H2-HCl hydrogen bonded complex/
|
�ar�abal, P
|
North Holland
|
2001
|
|
|
|
| 1334 |
|
Ab initio based effective Hamiltonians for long-range electron transfer:Hartree-Fock analysis
|
Kurnikov, I. V
|
American Institute of Physics
|
1980
|
|
|
|
| 1335 |
|
Ab initio basis set and correlation limit interaction energies for He-He, He-H2, and H-H2/
|
Lee, Jae Shin
|
North Holland
|
2001
|
|
|
|
| 1336 |
|
Ab initio calculation for potential energy surfaces relevant to the microscopic reaction pathways for Mg(3s3p^1P~1)+H~2->MgH(^2�+)+H
|
Ou, Y.-R
|
American Institute of Physics
|
1980
|
|
|
|
| 1337 |
|
Ab initio calculation of ^2H quadrupole coupling constants in molecular crystals: application to polymorphs of oxalic acid dihydrate
|
Camus, S. Harris, K. D. M. Johnston, R. L.
|
North Holland
|
1997
|
|
|
|
| 1338 |
|
Ab initio calculation of atomic axial tensors and vibrational rotationalstrengths using density functional theory
|
Cheeseman, J. R. Frisch, M. J. Stephens, P. J. Devlin, F. J.
|
North Holland
|
1996
|
|
|
|
| 1339 |
|
Ab initio calculation of Auger spectra for carbon monoxide
|
Schimmelpfennig, B. Peyerimhoff, S. D.
|
North Holland
|
1996
|
|
|
|
| 1340 |
|
Ab Initio Calculation of Crystalline Electric Fields and Kondo Temperatures in Ce Compounds
|
Han, J. E
|
American Physical Society
|
1980
|
|
|
|
기사
(89993)
