Relativistic effective charge model of a multi-electron atom

Journal of Physics B Atomic Molecular and Optical Physics ◽

10.1088/1361-6455/abdaca ◽

2021 ◽

Author(s):

Kamil Dzikowski ◽

Oleg Skoromnik ◽

Ilya Feranchuk ◽

Natalia S. Oreshkina ◽

Christoph H Keitel

Keyword(s):

Effective Charge ◽

Electron Atom ◽

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MNDO-effective charge model study of solvent effect on the potential energy surface of the SN2 reaction

Journal of the American Chemical Society ◽

10.1021/ja00187a002 ◽

1989 ◽

Vol 111 (5) ◽

pp. 1547-1552 ◽

Author(s):

Teruya Kozaki ◽

Kenji Morihashi ◽

Osamu Kikuchi

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Solvent Effect ◽

Effective Charge ◽

Energy Surface ◽

Sn2 Reaction ◽

Model Study ◽

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An effective-charge model for the trapping of impurities of fluids in channels with nanostructured walls

Nanoscale Research Letters ◽

10.1186/1556-276x-8-19 ◽

2013 ◽

Vol 8 (1) ◽

Author(s):

Manuel V Ramallo

Keyword(s):

Effective Charge ◽

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Threshold Limit of Electron and Positron Impact Ionization of Hydrogen Atom in the Effective Charge Model

Physica Scripta ◽

10.1238/physica.regular.062a00310 ◽

2000 ◽

Vol 62 (4) ◽

pp. 310-315

Author(s):

Utpal Roy ◽

K Roy ◽

N C Sil

Keyword(s):

Hydrogen Atom ◽

Effective Charge ◽

Impact Ionization ◽

Positron Impact ◽

Threshold Limit ◽

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An MNDO-effective charge model study of the solvent effect: The internal rotation about partial double bonds and the nitrogen inversion in amine

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(88)80360-9 ◽

1988 ◽

Vol 168 ◽

pp. 265-277 ◽

Author(s):

Teruya Kozaki ◽

Kenji Morihashi ◽

Osamu Kikuchi

Keyword(s):

Solvent Effect ◽

Internal Rotation ◽

Effective Charge ◽

Double Bonds ◽

Nitrogen Inversion ◽

Model Study ◽

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Bond charge model for the transverse dynamic effective charge and the piezoelectric constant of zincblende-type crystals

physica status solidi (b) ◽

10.1002/pssb.2220680121 ◽

1975 ◽

Vol 68 (1) ◽

pp. 223-232 ◽

Author(s):

K. Hübwer

Keyword(s):

Effective Charge ◽

Piezoelectric Constant ◽

Transverse Dynamic ◽

Charge Model ◽

Bond Charge ◽

Bond Charge Model

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MNDO effective charge model study of conformations of zwitterionic and neutral forms of glycine, alanine and serine in the gas phase and in solution

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(90)85158-j ◽

1990 ◽

Vol 207 (1-2) ◽

pp. 103-114 ◽

Author(s):

Osamu Kikuchi ◽

Toru Natsui ◽

Teruya Kozaki

Keyword(s):

Gas Phase ◽

Effective Charge ◽

Model Study ◽

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Solvent Effect on the ESR Parameters of Di-t-butyl Nitroxide and Galvinoxyl. Theoretical Application of the MNDO Effective Charge Model

Bulletin of the Chemical Society of Japan ◽

10.1246/bcsj.64.3511 ◽

1991 ◽

Vol 64 (12) ◽

pp. 3511-3514 ◽

Author(s):

Hideto Takase ◽

Kenji Morihashi ◽

Osamu Kikuchi

Keyword(s):

Solvent Effect ◽

Effective Charge ◽

Charge Model ◽

Theoretical Application

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MNDO effective charge model with induced charges on the molecular surface and conformational analysis of histamine in water

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(91)85156-2 ◽

1991 ◽

Vol 251 ◽

pp. 335-344 ◽

Author(s):

Toru Natsui ◽

Osamu Kikuchi

Keyword(s):

Conformational Analysis ◽

Effective Charge ◽

Molecular Surface ◽

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Structural factors in effective charge model of solvent effect. Conformations of acetylcholine.

NIPPON KAGAKU KAISHI ◽

10.1246/nikkashi.1986.1409 ◽

1986 ◽

pp. 1409-1413 ◽

Author(s):

Osamu KIKUCHI ◽

Teruya KOZAKI ◽

Kenji MORIHASHI

Keyword(s):

Solvent Effect ◽

Effective Charge ◽

Structural Factors ◽

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The effective charge model and the Grüneisen constants of some oxides

Journal of Physics and Chemistry of Solids ◽

10.1016/0022-3697(75)90037-2 ◽

1975 ◽

Vol 36 (4) ◽

pp. 355 ◽

Author(s):

D.B. Sirdeshmukh ◽

B.K. Rao

Keyword(s):

Effective Charge ◽

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