1968
DOI: 10.1063/1.1670155
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Magnetic Properties of Polyatomic Molecules. I. Magnetic Susceptibility of H2O, NH3, CH4, H2O2

Abstract: The magnetic susceptibility of H2O, NH3, CH4, and H2O2 molecules has been evaluated by the perturbed HF scheme. Several wavefunctions, all of LCAO SCF MO type, have been considered. By using a double perturbation technique we derive some useful quantities which allow one to evaluate diamagnetic and paramagnetic contributions to the susceptibility for any gauge. The results corresponding to the largest basis sets are in satisfactory agreement with experimental data. The dependence of the evaluated quantities up… Show more

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Cited by 143 publications
(45 citation statements)
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“…Hence, we need the absolute value of the susceptibility of water and its temperature dependence. These, however, have been a long-standing issue of research [1,19,20,21,22,23,24,25,26]. To obtain the absolute value of the susceptibility, we use the value -9.032 ppm for the susceptibility of water at 20 • C quoted in [1], but we have to caution that our density-specific value critically hinges on this number.…”
Section: Density Measurements and Absolute Susceptibilitymentioning
confidence: 99%
“…Hence, we need the absolute value of the susceptibility of water and its temperature dependence. These, however, have been a long-standing issue of research [1,19,20,21,22,23,24,25,26]. To obtain the absolute value of the susceptibility, we use the value -9.032 ppm for the susceptibility of water at 20 • C quoted in [1], but we have to caution that our density-specific value critically hinges on this number.…”
Section: Density Measurements and Absolute Susceptibilitymentioning
confidence: 99%
“…Here, 0:587 Â 10 À6 mL=g is the mass susceptibility of globin relative to vacuum in CGS units (53,54); 4p is the unit conversion from CGS to SI units; and À9035 ppb is the water volume susceptibility relative to vacuum (55). X p ¼ À37:7 ppb is the oxyhemoglobin and blood plasma volume susceptibility (12).…”
mentioning
confidence: 99%
“…The reported magnetic susceptibility of flour, ¹8.1 © 10 ¹7 emu, 15 is similar to that of water (¹7.2 © 10 ¹7 emu), 16 the primary constituent of the human body, and that of cells (¹7.2 © 10 ¹7 emu). 17 The magnetic susceptibility of rice is ¹8.2 © 10 ¹7 emu.…”
Section: Discussionmentioning
confidence: 62%