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- Currently displaying 27741 - 27760 of 29789 publications
RATE CONSTANTS FOR THE REACTIONS CN(V=0), CN(V=1)+H2, D2-]HCN, DCN+H, D BETWEEN 295-K AND 768-K, AND COMPARISONS WITH TRANSITION-STATE THEORY CALCULATIONS
– Chemical Physics Letters
(1988)
149,
565
(doi: 10.1016/0009-2614(88)80384-1)
STRUCTURE AND PROPERTIES OF RARE-EARTH OVERLAYERS AND ULTRA-THIN ALLOY-FILMS ON SINGLE-CRYSTAL COPPER - ND ON CU(111)
– Surface Science
(1988)
203,
307
(doi: 10.1016/0039-6028(88)90085-4)
Ab initio quantum chemistry on microcomputers
– Journal of Molecular Structure: THEOCHEM
(1988)
47,
197
(doi: 10.1016/0166-1280(88)80063-0)
Molecular model for aqueous ferrous–ferric electron transfer
– The Journal of Chemical Physics
(1988)
89,
3248
(doi: 10.1063/1.454929)
A VARIATIONAL METHOD FOR THE DETERMINATION OF THE VIBRATIONAL (J=0) ENERGY-LEVELS OF ACETYLENE, USING A HAMILTONIAN IN INTERNAL COORDINATES
– Computer Physics Communications
(1988)
51,
49
(doi: 10.1016/0010-4655(88)90061-6)
The accurate calculation of molecular properties by ab initio methods
– Journal of the Chemical Society Faraday Transactions 2 Molecular and Chemical Physics
(1988)
84,
1247
(doi: 10.1039/f29888401247)
Determination of an adlayer bonding transition by surface extended X-ray-absorption fine-structure spectroscopy: Cesium adsorbed on Ag {111}
– Phys Rev Lett
(1988)
61,
1112
(doi: 10.1103/PhysRevLett.61.1112)
Solid-state NMR studies of the geometry of brønsted acid sites in zeolitic catalysts
– Chemical Physics Letters
(1988)
149,
355
(doi: 10.1016/0009-2614(88)85107-8)
Experimental evidence for an inorganic molecular glass
– Physical review letters
(1988)
61,
974
(doi: 10.1103/PhysRevLett.61.974)
Mo/ller–Plesset third order calculations with large basis sets
– The Journal of Chemical Physics
(1988)
89,
2107
(doi: 10.1063/1.455107)
A CELLULAR LIGAND-FIELD MODEL FOR L-L SPECTRAL INTENSITIES .2. APPLICATIONS WITHIN THE D-BLOCK
– Molecular Physics
(1988)
64,
793
(doi: 10.1080/00268978800100563)
A cellular ligand-field model for ‘l-l’ spectral intensities
– Molecular Physics
(1988)
64,
825
(doi: 10.1080/00268978800100573)
Recent Advances in Solid-State NMR of Zeolites
– Annual Review of Materials Research
(1988)
18,
189
HYDRATION OF TRICALCIUM SILICATE WITH D2O
– Journal of Materials Science Letters
(1988)
7,
861
(doi: 10.1007/bf00723787)
Optimization of a distributed Gaussian basis set using simulated annealing: Application to the adiabatic dynamics of the solvated electron
– The Journal of Chemical Physics
(1988)
89,
1592
(doi: 10.1063/1.455156)
TYROSYL-TRANSFER RNA-SYNTHETASE ACTS AS AN ASYMMETRIC DIMER IN CHARGING TRANSFER-RNA - A RATIONALE FOR HALF-OF-THE-SITES ACTIVITY
– BIOCHEMISTRY
(1988)
27,
5525
(doi: 10.1021/bi00415a021)
The anharmonic potential function of methylene fluoride. SCF a b i n i t i o computations of the cubic force field and analysis of vibration–rotation interaction constants
– The Journal of Chemical Physics
(1988)
89,
959
(doi: 10.1063/1.455165)
Structure of sodium (–)-shikimate dihydrate
– Acta Crystallographica Section C: Structural Chemistry
(1988)
44,
1204
(doi: 10.1107/S0108270188002872)
Infrared diode laser spectra of MgH and MgD ( X 2Σ+)
– The Journal of Chemical Physics
(1988)
89,
673
(doi: 10.1063/1.455188)