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- Currently displaying 28361 - 28380 of 30057 publications
Generalization of analytic energy third derivatives for the RHF closed-shell wave function: Derivative energy and integral formalisms and the prediction of vibration–rotation interaction constants
The Journal of Chemical Physics
(1986)
85
5132
(doi: 10.1063/1.451707)
BOND LENGTH AND REACTIVITY - STRUCTURE OF A GROB FRAGMENTATION SUBSTRATE, 4A-ALPHA,5-BETA,8A-BETA-1-METHYLDECAHYDROQUINOLIN-5-YL 3,5-DINITROBENZOATE
Acta Crystallographica Section C: Structural Chemistry
(1986)
42
1372
(doi: 10.1107/S0108270186092223)
BOND LENGTH AND REACTIVITY - 1-ARYLETHYL ETHERS AND ESTERS .6. STRUCTURE OF 1-(4-NITROPHENYL)ETHYL 2-NAPHTHALENESULFONATE
Acta Crystallographica Section C Crystal Structure Communications
(1986)
42
1370
(doi: 10.1107/s0108270186092235)
Bond length and reactivity: 1‐arylethyl ethers and esters. 5. Structure of 1‐(4‐nitrophenyl)ethyl diphenyl phosphate
Acta Crystallographica Section C: Structural Chemistry
(1986)
42
1368
(doi: 10.1107/s0108270186092247)
Bond length and reactivity: 1-arylethyl ethers and esters. 4. Structures of two p-nitrophenyl ethers of 1-arylethanols. 1-Phenylethyl and 1-(4-methoxy)phenylethyl 4-nitrophenyl ethers
Acta Crystallographica Section C Crystal Structure Communications
(1986)
42
1365
(doi: 10.1107/s0108270186092259)
BOND LENGTH AND REACTIVITY - 1-ARYLETHYL ETHERS AND ESTERS .3. STRUCTURES OF 3 TRITYL ETHERS OF 1-ARYLETHANOLS - 1-PHENYLETHYL, 1-(4-CHLOROPHENYL)ETHYL AND 1-(4-NITROPHENYL)ETHYL TRIPHENYLMETHYL ETHERS
Acta Crystallographica Section C: Structural Chemistry
(1986)
42
1361
(doi: 10.1107/s0108270186092260)
Bond length and reactivity: 1-arylethyl ethers and esters. 2. Structure of 1-(4-nitrophenyl)ethyl chloroacetate
Acta Crystallographica Section C: Structural Chemistry
(1986)
42
1359
(doi: 10.1107/s0108270186092272)
Bond length and reactivity: 1‐aryl ethers and esters. 1. Three 3,5‐dinitrobenzoate esters of 1‐arylethanols: 1‐(4‐methoxyphenyl)ethyl, 1‐phenylethyl and 1‐(3‐fluorophenyl)ethyl 3,5‐dinitrobenzoates
Acta Crystallographica Section C Crystal Structure Communications
(1986)
42
1355
(doi: 10.1107/S0108270186092284)
Infrared diode laser spectroscopy of the ν2(2+ ← 1−) band of H3O+
Chemical Physics
(1986)
108
335
(doi: 10.1016/0301-0104(86)80100-8)
Chemical shift tensor analyses and simulations of slow-spinning MAS NMR spectra
Journal of Magnetic Resonance 1969
(1986)
69
476
(doi: 10.1016/0022-2364(86)90159-9)
Atomic imaging of oxide surfaces I. General features and surface rearrangements
Surface Science
(1986)
175
673
(doi: 10.1016/0039-6028(86)90019-1)
The efficient evaluation of configuration interaction analytic energy second derivatives: Application to hydrogen thioperoxide, HSOH
The Journal of Chemical Physics
(1986)
85
3930
(doi: 10.1063/1.451826)
KINETIC MEASUREMENTS ON THE SYSTEM NO+NO2 REVERSIBLE N2O3 BY TIME-RESOLVED INFRARED-LASER ABSORPTION
Chemical Physics Letters
(1986)
130
24
(doi: 10.1016/0009-2614(86)80418-3)
Evidence for Smectic Order in a Fluid of Hard Parallel Spherocylinders
Phys Rev Lett
(1986)
57
1452
(doi: 10.1103/PhysRevLett.57.1452)
Bond length and reactivity: the Beckmann rearrangement. 1. Structure of cyclopentanone O‐(3,5‐dinitrobenzoyl)oxime n‐hexane solvate (4:1)
Acta Crystallographica Section C Crystal Structure Communications
(1986)
42
1222
(doi: 10.1107/s0108270186092818)
BOND LENGTH AND REACTIVITY - THE BECKMANN REARRANGEMENT .2. STRUCTURE OF A PROTONATED LACTAM - 5-TERT-BUTYLHEXAHYDRO-2H-AZEPIN-2-ONIUM P-TOLUENESULFONATE MONOHYDRATE
Acta Crystallographica Section C Crystal Structure Communications
(1986)
42
1225
(doi: 10.1107/s0108270186092806)
Bond length and reactivity: the Beckmann rearrangement. 3. Structure of 4-phenylcyclohexanone O-(2-naphthalenesulfonyl)oxime at 233 K
Acta Crystallographica Section C: Structural Chemistry
(1986)
42
1228
(doi: 10.1107/s010827018609279x)
Bond length and reactivity: the Beckmann rearrangement. 4. Structure of 4-phenylcyclohexanone oxime O-triphenylmethyl ether at 233 K
Acta Crystallographica Section C: Structural Chemistry
(1986)
42
1230
(doi: 10.1107/s0108270186092788)
Mechanism for doping in Bi chalcogenide glasses.
Physical Review Letters
(1986)
57
1316
(doi: 10.1103/physrevlett.57.1316)