Partial charge (English Wikipedia)

Analysis of information sources in references of the Wikipedia article "Partial charge" in English language version.

refsWebsite

Global rank English rank

17doi.org

2^nd place

6harvard.edu

18^th place

17^th place

6semanticscholar.org

11^th place

8^th place

4nih.gov

4^th place

1padakshep.org

low place

1zenodo.org

621^st place

380^th place

1arxiv.org

69^th place

59^th place

arxiv.org

Ph. Ghosez; J.-P. Michenaud; X. Gonze (1998). "Dynamical atomic charges: The case of ABO₃ compounds". Phys. Rev. B. 58 (10): 6224–6240. arXiv:cond-mat/9805013. Bibcode:1998PhRvB..58.6224G. doi:10.1103/PhysRevB.58.6224. S2CID 119089568.

doi.org

Kramer, Christian; Spinn, Alexander; Liedl, Klaus R. (2014). "Charge Anisotropy: Where Atomic Multipoles Matter Most". Journal of Chemical Theory and Computation. 10 (10): 4488–4496. doi:10.1021/ct5005565. PMID 26588145.
H. Heinz; U. W. Suter (2004). "Atomic Charges for Classical Simulations of Polar Systems". J. Phys. Chem. B. 108 (47): 18341–18352. doi:10.1021/jp048142t.
H. Heinz; T. Z. Lin; R. K. Mishra; F. S. Emami (2013). "Thermodynamically Consistent Force Fields for the Assembly of Inorganic, Organic, and Biological Nanostructures: The INTERFACE Force Field". Langmuir. 29 (6): 1754–1765. doi:10.1021/la3038846. PMID 23276161.
T. A. Manz; N. Gabaldon-Limas (2016). "Introducing DDEC6 atomic population analysis: part 1. Charge partitioning theory and methodology". RSC Adv. 6 (53): 47771–47801. Bibcode:2016RSCAd...647771M. doi:10.1039/c6ra04656h. S2CID 102206475.
N. Gabaldon-Limas; T. A. Manz (2016). "Introducing DDEC6 atomic population analysis: part 2. Computed results for a wide range of periodic and nonperiodic materials". RSC Adv. 6 (51): 45727–45747. Bibcode:2016RSCAd...645727L. doi:10.1039/c6ra05507a. S2CID 102242157.
A. E. Reed; R. B. Weinstock; F. Weinhold (1985). "Natural population analysis". J. Chem. Phys. 83 (2): 735–746. Bibcode:1985JChPh..83..735R. doi:10.1063/1.449486.
E. R. Davidson; S. Chakravorty (1992). "A test of the Hirshfeld definition of atomic charges and moments". Theor. Chim. Acta. 83 (5–6): 319–330. doi:10.1007/BF01113058. S2CID 93652756.
C. Gatti; P. Fantucci; G. Pacchioni (1987). "Charge density topological study of bonding in lithium clusters". Theor. Chim. Acta. 72 (5–6): 433–458. doi:10.1007/BF01192234. S2CID 101073677.
J. Meister; W. H. E. Schwarz (1994). "Principal Components of Ionicity". J. Phys. Chem. 98 (33): 8245–8252. doi:10.1021/j100084a048.
Löwdin, Per‐Olov (1950). "On the Non‐Orthogonality Problem Connected with the Use of Atomic Wave Functions in the Theory of Molecules and Crystals". The Journal of Chemical Physics. 18 (3): 365–375. Bibcode:1950JChPh..18..365L. doi:10.1063/1.1747632. Retrieved 2021-01-21.
A. V. Marenich; S. V. Jerome; C. J. Cramer; D. G. Truhlar (2012). "Charge Model 5: An Extension of Hirshfeld Population Analysis for the Accurate Description of Molecular Interactions in Gaseous and Condensed Phases". J. Chem. Theory Comput. 8 (2): 527–541. doi:10.1021/ct200866d. PMID 26596602.
F. L. Hirshfeld (1977). "Bonded-atom fragments for describing molecular charge densities". Theor. Chim. Acta. 44 (2): 129–138. doi:10.1007/BF00549096. S2CID 98677294.
E. N. Maslen; M. A. Spackman (1985). "Atomic charges and electron density partitioning". Aust. J. Phys. 38 (3): 273–287. Bibcode:1985AuJPh..38..273M. doi:10.1071/PH850273.
T. A. Manz; D. S. Sholl (2012). "Improved Atoms-in-Molecule Charge Partitioning Functional for Simultaneously Reproducing the Electrostatic Potential and Chemical States in Periodic and Nonperiodic Materials". J. Chem. Theory Comput. 8 (8): 2844–2867. doi:10.1021/ct3002199. PMID 26592125.
P. J. Stephens; K. J. Jalkanen; R. W. Kawiecki (1990). "Theory of vibrational rotational strengths: comparison of a priori theory and approximate models". J. Am. Chem. Soc. 112 (18): 6518–6529. doi:10.1021/ja00174a011.
Ph. Ghosez; J.-P. Michenaud; X. Gonze (1998). "Dynamical atomic charges: The case of ABO₃ compounds". Phys. Rev. B. 58 (10): 6224–6240. arXiv:cond-mat/9805013. Bibcode:1998PhRvB..58.6224G. doi:10.1103/PhysRevB.58.6224. S2CID 119089568.
C. I. Bayly; P. Cieplak; W. Cornell; P. A. Kollman (1993). "A well-behaved electrostatic potential based method using charge restraints for deriving atomic charges: the RESP model". J. Phys. Chem. 97 (40): 10269–10280. doi:10.1021/j100142a004.

harvard.edu

ui.adsabs.harvard.edu

T. A. Manz; N. Gabaldon-Limas (2016). "Introducing DDEC6 atomic population analysis: part 1. Charge partitioning theory and methodology". RSC Adv. 6 (53): 47771–47801. Bibcode:2016RSCAd...647771M. doi:10.1039/c6ra04656h. S2CID 102206475.
N. Gabaldon-Limas; T. A. Manz (2016). "Introducing DDEC6 atomic population analysis: part 2. Computed results for a wide range of periodic and nonperiodic materials". RSC Adv. 6 (51): 45727–45747. Bibcode:2016RSCAd...645727L. doi:10.1039/c6ra05507a. S2CID 102242157.
A. E. Reed; R. B. Weinstock; F. Weinhold (1985). "Natural population analysis". J. Chem. Phys. 83 (2): 735–746. Bibcode:1985JChPh..83..735R. doi:10.1063/1.449486.
Löwdin, Per‐Olov (1950). "On the Non‐Orthogonality Problem Connected with the Use of Atomic Wave Functions in the Theory of Molecules and Crystals". The Journal of Chemical Physics. 18 (3): 365–375. Bibcode:1950JChPh..18..365L. doi:10.1063/1.1747632. Retrieved 2021-01-21.
E. N. Maslen; M. A. Spackman (1985). "Atomic charges and electron density partitioning". Aust. J. Phys. 38 (3): 273–287. Bibcode:1985AuJPh..38..273M. doi:10.1071/PH850273.
Ph. Ghosez; J.-P. Michenaud; X. Gonze (1998). "Dynamical atomic charges: The case of ABO₃ compounds". Phys. Rev. B. 58 (10): 6224–6240. arXiv:cond-mat/9805013. Bibcode:1998PhRvB..58.6224G. doi:10.1103/PhysRevB.58.6224. S2CID 119089568.

nih.gov

pubmed.ncbi.nlm.nih.gov

Kramer, Christian; Spinn, Alexander; Liedl, Klaus R. (2014). "Charge Anisotropy: Where Atomic Multipoles Matter Most". Journal of Chemical Theory and Computation. 10 (10): 4488–4496. doi:10.1021/ct5005565. PMID 26588145.
H. Heinz; T. Z. Lin; R. K. Mishra; F. S. Emami (2013). "Thermodynamically Consistent Force Fields for the Assembly of Inorganic, Organic, and Biological Nanostructures: The INTERFACE Force Field". Langmuir. 29 (6): 1754–1765. doi:10.1021/la3038846. PMID 23276161.
A. V. Marenich; S. V. Jerome; C. J. Cramer; D. G. Truhlar (2012). "Charge Model 5: An Extension of Hirshfeld Population Analysis for the Accurate Description of Molecular Interactions in Gaseous and Condensed Phases". J. Chem. Theory Comput. 8 (2): 527–541. doi:10.1021/ct200866d. PMID 26596602.
T. A. Manz; D. S. Sholl (2012). "Improved Atoms-in-Molecule Charge Partitioning Functional for Simultaneously Reproducing the Electrostatic Potential and Chemical States in Periodic and Nonperiodic Materials". J. Chem. Theory Comput. 8 (8): 2844–2867. doi:10.1021/ct3002199. PMID 26592125.

padakshep.org

"Basic principles in organic chemistry: Steric and electronic effects in a covalent bond – Open Teaching Project". Retrieved 2020-10-11.

semanticscholar.org

api.semanticscholar.org

T. A. Manz; N. Gabaldon-Limas (2016). "Introducing DDEC6 atomic population analysis: part 1. Charge partitioning theory and methodology". RSC Adv. 6 (53): 47771–47801. Bibcode:2016RSCAd...647771M. doi:10.1039/c6ra04656h. S2CID 102206475.
N. Gabaldon-Limas; T. A. Manz (2016). "Introducing DDEC6 atomic population analysis: part 2. Computed results for a wide range of periodic and nonperiodic materials". RSC Adv. 6 (51): 45727–45747. Bibcode:2016RSCAd...645727L. doi:10.1039/c6ra05507a. S2CID 102242157.
E. R. Davidson; S. Chakravorty (1992). "A test of the Hirshfeld definition of atomic charges and moments". Theor. Chim. Acta. 83 (5–6): 319–330. doi:10.1007/BF01113058. S2CID 93652756.
C. Gatti; P. Fantucci; G. Pacchioni (1987). "Charge density topological study of bonding in lithium clusters". Theor. Chim. Acta. 72 (5–6): 433–458. doi:10.1007/BF01192234. S2CID 101073677.
F. L. Hirshfeld (1977). "Bonded-atom fragments for describing molecular charge densities". Theor. Chim. Acta. 44 (2): 129–138. doi:10.1007/BF00549096. S2CID 98677294.
Ph. Ghosez; J.-P. Michenaud; X. Gonze (1998). "Dynamical atomic charges: The case of ABO₃ compounds". Phys. Rev. B. 58 (10): 6224–6240. arXiv:cond-mat/9805013. Bibcode:1998PhRvB..58.6224G. doi:10.1103/PhysRevB.58.6224. S2CID 119089568.

zenodo.org

T. A. Manz; N. Gabaldon-Limas (2016). "Introducing DDEC6 atomic population analysis: part 1. Charge partitioning theory and methodology". RSC Adv. 6 (53): 47771–47801. Bibcode:2016RSCAd...647771M. doi:10.1039/c6ra04656h. S2CID 102206475.