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/vufind/Search/Results?lookfor=%22Electron+density%22&type=Subject&sort=year%2C+publishDateDaySort_date+desc%2C+id
/vufind/Search/Results?lookfor=%22Electron+density%22&type=Subject&sort=year%2C+publishDateDaySort_date+desc%2C+id
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PubPharm (2.208)
1
Revealing the Critical Role of Global Electron Density Transfer in the Reaction Rate of Polar Organic Reactions within Molecular Electron Density Theory
enthalten in:
Molecules (Basel, Switzerland)
| 2024
von
Domingo, L.
|
Ríos-Gutiérrez, M.
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2
Classification of substances by health hazard using deep neural networks and molecular electron densities
enthalten in:
Journal of cheminformatics
| 2024
von
Singh, S.
|
Zeh, G.
|
Freiherr, J.
| +3
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3
Silatranes and germatranes as the systems with intramolecular tetrel bonds
enthalten in:
Theoretical chemistry accounts
| 2024
von
Bartashevich, E.
|
Regel, R.
|
Tsirelson, V.
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4
Classification of substances by health hazard using deep neural networks and molecular electron densities
enthalten in:
Journal of cheminformatics
| 2024
von
Singh, S.
|
Zeh, G.
|
Freiherr, J.
| +3
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5
Mutual influence of non-covalent interactions formed by imidazole : A systematic quantum-chemical study
enthalten in:
Journal of computational chemistry
| 2024
von
Shitov, D.
|
Krutin, D.
|
Tupikina, E.
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6
Evolution of structural and electronic properties standardized description in rhenium disulfide at the bulk-monolayer transition
enthalten in:
Heliyon
| 2024
von
Baglov, A.
|
Khoroshko, L.
|
Zhoidzik, A.
| +10
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7
In Silico Design and Characterization of a New Molecular Electride : Li@Calix[3]Pyrrole
enthalten in:
Chemistry (Weinheim an der Bergstrasse, Germany)
| 2024
von
Saha, R.
|
Skjelstad, B.
|
Pan, S.
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8
Defect Engineering Simultaneously Regulating Exciton Dissociation in Carbon Nitride and Local Electron Density in Pt Single Atoms Toward Highly Efficient Photocatalytic Hydrogen Production
enthalten in:
Small (Weinheim an der Bergstrasse, Germany)
| 2024
von
Liu, D.
|
Zhang, C.
|
Shi, J.
| +5
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9
Enhancing Conversion Kinetics through Electron Density Dual-Regulation of Catalysts and Sulfur toward Room-/Subzero-Temperature Na-S Batteries
enthalten in:
Advanced science (Weinheim, Baden-Wurttemberg, Germany)
| 2024
von
Luo, S.
|
Ruan, J.
|
Wang, Y.
| +2
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10
An electron density clustering based adaptive segmentation method for protein Raman spectrum calculation
enthalten in:
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
| 2024
von
Mo, W.
|
Ni, S.
|
Zhou, M.
| +7
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136
Journal of molecular modeling
132
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36
Russian journal of organic chemistry
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Acta crystallographica Section B, Structural sc...
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Chemistry of heterocyclic compounds
25
Russian journal of inorganic chemistry
24
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23
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23
Journal of chemical sciences
23
Russian journal of general chemistry
22
Journal of computer aided molecular design
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514
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electron density
365
Electron density
132
ELECTRON DENSITY
97
Chemistry
89
Research Support, Non-U.S. Gov't
64
Electron Density Distribution
62
molecular electron density theory
54
Organic chemistry
52
Crystallography Report
52
Molecular electron density theory
48
Topological analysis of electron density
46
QTAIM
44
Chemistry/ Metallurgy/ Environment/ Mine Industry
44
ELECTRONIC STRUCTURE
44
理工B(化学化工冶金环境矿业)
42
DFT
40
density functional theory
38
Electron Density Transfer
37
Physics
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