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- Currently displaying 26881 - 26900 of 29607 publications
Spin contamination in single-determinant wavefunctions
Chemical Physics Letters
(1991)
183
423
(doi: 10.1016/0009-2614(91)90405-x)
SOME INVESTIGATIONS OF THE MP2-R12 METHOD
Theoretica Chimica Acta
(1991)
79
361
(doi: 10.1007/BF01114694)
An ultrahigh vacuum single crystal adsorption microcalorimeter
Review of Scientific Instruments
(1991)
62
2177
(doi: 10.1063/1.1142525)
Rotational relaxation in dense gases
Chemical Physics Letters
(1991)
183
316
(doi: 10.1016/0009-2614(91)80069-A)
The production of vibrationally excited NCO(X̃ 2Π) in the reaction between CN radicals and O2
Chemical Physics Letters
(1991)
183
254
(doi: 10.1016/0009-2614(91)80060-b)
Computer simulation of polymer-induced clustering of colloids.
Phys Rev Lett
(1991)
67
1110
(doi: 10.1103/PhysRevLett.67.1110)
VARIATIONAL ROVIBRATIONAL STUDIES OF 3-ATOM AND 4-ATOM MOLECULES
ABSTR PAP AM CHEM S
(1991)
202
30
MODELING TRANSITION-STATES WITH FORCE-FIELDS - DEVELOPMENT OF THE BEST POSSIBLE PARAMETERS
ABSTR PAP AM CHEM S
(1991)
202
{170-ORGN}
FREQUENCY-DEPENDENT HYPERPOLARIZABILITIES
ABSTR PAP AM CHEM S
(1991)
202
342
Vibration-rotation coordinates and kinetic energy operators for polyatomic molecules
Molecular Physics
(1991)
73
1183
(doi: 10.1080/00268979100101871)
A study of the ground electronic state of disulphane
Molecular Physics
(1991)
73
1209
(doi: 10.1080/00268979100101881)
The onset of disorder on a surface with a step
Molecular Physics
(1991)
73
1401
(doi: 10.1080/00268979100102001)
SOLID-STATE AL-27 NMR-STUDIES OF ALPO4-8
Chemical Physics Letters
(1991)
182
531
(doi: 10.1016/0009-2614(91)90119-T)
Isotope effects on the stability of the carbon monoxide-acetylene van der Waals molecule and the hydrogen fluoride dimer
Chemical Physics Letters
(1991)
182
551
(doi: 10.1016/0009-2614(91)90123-Q)
Crystallographic studies of intra- and intermolecular interactions Part VII. Crystal and molecular structure of the complex of acridine—pentachlorophenol: H-bonding effect on the geometry of the pentachlorophenol moiety
Journal of Molecular Structure
(1991)
248
331
(doi: 10.1016/0022-2860(91)80040-b)
Stereocontrolled synthesis of homoallylic amines using phosphine oxides and isoxazolines
Tetrahedron Letters
(1991)
32
4171
Chemistry of insect antifeedants from azadirachta indica (part 8): Synthesis of hydroxydihydrofuran acetal fragments for biological evaluation and azadirachtin total synthesis studies.
Tetrahedron
(1991)
47
6813
High-resolution image simulations of small metal particles
Proceedings of the Royal Society A
(1991)
434
279
(doi: 10.1098/rspa.1991.0093)
Origin of the first sharp diffraction peak in the structure factor of covalent glasses
Physical review letters
(1991)
67
711
(doi: 10.1103/PhysRevLett.67.711)
Surface electrostatic interactions contribute little to stability of barnase
Journal of Molecular Biology
(1991)
220
779
(doi: 10.1016/0022-2836(91)90117-O)
