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- Currently displaying 27801 - 27820 of 29849 publications
Ab initio quantum chemistry on microcomputers
Computational and Theoretical Chemistry
(1988)
170
197
(doi: 10.1016/0166-1280(88)80063-0)
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)
Molecular model for aqueous ferrous-ferric electron transfer
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)
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
Phys Rev Lett
(1988)
61
974
(doi: 10.1103/PhysRevLett.61.974)
MOLLER-PLESSET 3RD 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 II. 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)
Optimization of a distributed Gaussian basis set using simulated annealing: Application to the adiabatic dynamics of the solvated electron
Journal of Chemical Physics
(1988)
89
1592
(doi: 10.1063/1.455156)
HYDRATION OF TRICALCIUM SILICATE WITH D2O
Journal of Materials Science Letters
(1988)
7
861
(doi: 10.1007/bf00723787)
Recent Advances in Solid-State NMR of Zeolites
Annual Review of Materials Research
(1988)
18
189
TYROSYL-TRANSFER RNA-SYNTHETASE ACTS AS AN ASYMMETRIC DIMER IN CHARGING TRANSFER-RNA - A RATIONALE FOR HALF-OF-THE-SITES ACTIVITY
BIOCHEMISTRY-US
(1988)
27
5525
(doi: 10.1021/bi00415a021)
Structure of sodium (–)‐shikimate dihydrate
Acta Crystallographica Section C Crystal Structure Communications
(1988)
44
1204
(doi: 10.1107/S0108270188002872)
Infrared diode laser spectra of MgH and MgD (X2σ +)
Journal of Chemical Physics
(1988)
89
673
(doi: 10.1063/1.455188)
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 (–)-quinic acid
Acta Crystallographica Section C Crystal Structure Communications
(1988)
44
1287
(doi: 10.1107/S0108270188002884)
Structure of (–)‐3‐dehydroshikimic acid monohydrate
Acta Crystallographica Section C: Structural Chemistry
(1988)
44
1290
(doi: 10.1107/S0108270188002896)
