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- Currently displaying 28841 - 28860 of 30913 publications
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
J CHEM SOC FARAD T 2
(1988)
84
1247
(doi: 10.1039/f29888401247)
Ab initio quantum chemistry on microcomputers
Computational and Theoretical Chemistry
(1988)
170
197
(doi: 10.1016/0166-1280(88)80063-0)
LONGITUDINAL NMR RELAXATION OF AL-27 IN ZEOLITES IS GOVERNED BY QUADRUPOLE INTERACTIONS WITH ADSORBED POLAR-MOLECULES AND EXCHANGEABLE CATIONS
Chemical Communications
(1988)
1142
(doi: 10.1039/C39880001142)
Determination of an Adlayer Bonding Transition by Surface Extended X-Ray-Absorption Fine-Structure Spectroscopy: Cesium Adsorbed on Ag {111}
Physical review letters
(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)
High selectivity catalysts for the oxidative coupling of methane
Applied Catalysis
(1988)
42
l1
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
Molecular Physics
(1988)
64
793
(doi: 10.1080/00268978800100563)
A CELLULAR LIGAND-FIELD MODEL FOR L-L SPECTRAL INTENSITIES .3. CORRELATIONS OF PARAMETERS WITH STRUCTURE AND BONDING
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
(1988)
7
861
(doi: 10.1007/BF00723787)
Recent Advances in Solid-State NMR of Zeolites
Annual Review of Materials Science
(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
(1988)
27
5525
(doi: 10.1021/bi00415a021)
Structure of sodium (–)‐shikimate dihydrate
Acta Crystallographica Section C: Structural Chemistry
(1988)
44
1204
(doi: 10.1107/s0108270188002872)
Structure of (–)‐3‐dehydroshikimic acid monohydrate
Acta Crystallographica Section C: Structural Chemistry
(1988)
44
1290
(doi: 10.1107/S0108270188002896)
Structure of (–)‐quinic acid
Acta Crystallographica Section C: Structural Chemistry
(1988)
44
1287
(doi: 10.1107/s0108270188002884)
Infrared diode laser spectra of MgH and MgD (X2σ +)
Journal of Chemical Physics
(1988)
89
673
(doi: 10.1063/1.455188)
