Detalles de la búsqueda
1.
Halogen Bond via an Electrophilic π-Hole on Halogen in Molecules: Does It Exist?
Int J Mol Sci
; 25(9)2024 Apr 23.
Artículo
en Inglés
| MEDLINE | ID: mdl-38731806
2.
Methylammonium Tetrel Halide Perovskite Ion Pairs and Their Dimers: The Interplay between the Hydrogen-, Pnictogen- and Tetrel-Bonding Interactions.
Int J Mol Sci
; 24(13)2023 Jun 23.
Artículo
en Inglés
| MEDLINE | ID: mdl-37445738
3.
The Tetrel Bond and Tetrel Halide Perovskite Semiconductors.
Int J Mol Sci
; 24(7)2023 Apr 03.
Artículo
en Inglés
| MEDLINE | ID: mdl-37047632
4.
The Stibium Bond or the Antimony-Centered Pnictogen Bond: The Covalently Bound Antimony Atom in Molecular Entities in Crystal Lattices as a Pnictogen Bond Donor.
Int J Mol Sci
; 23(9)2022 Apr 23.
Artículo
en Inglés
| MEDLINE | ID: mdl-35563065
5.
Chalcogen Bonding in the Molecular Dimers of WCh2 (Ch = S, Se, Te): On the Basic Understanding of the Local Interfacial and Interlayer Bonding Environment in 2D Layered Tungsten Dichalcogenides.
Int J Mol Sci
; 23(3)2022 Jan 23.
Artículo
en Inglés
| MEDLINE | ID: mdl-35163185
6.
The Pnictogen Bond, Together with Other Non-Covalent Interactions, in the Rational Design of One-, Two- and Three-Dimensional Organic-Inorganic Hybrid Metal Halide Perovskite Semiconducting Materials, and Beyond.
Int J Mol Sci
; 23(15)2022 Aug 08.
Artículo
en Inglés
| MEDLINE | ID: mdl-35955945
7.
Tetrel Bonding in Anion Recognition: A First Principles Investigation.
Molecules
; 27(23)2022 Dec 02.
Artículo
en Inglés
| MEDLINE | ID: mdl-36500544
8.
The Pnictogen Bond: The Covalently Bound Arsenic Atom in Molecular Entities in Crystals as a Pnictogen Bond Donor.
Molecules
; 27(11)2022 May 25.
Artículo
en Inglés
| MEDLINE | ID: mdl-35684359
9.
The Phosphorus Bond, or the Phosphorus-Centered Pnictogen Bond: The Covalently Bound Phosphorus Atom in Molecular Entities and Crystals as a Pnictogen Bond Donor.
Molecules
; 27(5)2022 Feb 23.
Artículo
en Inglés
| MEDLINE | ID: mdl-35268588
10.
A2AgCrCl6 (A = Li, Na, K, Rb, Cs) halide double perovskites: a transition metal-based semiconducting material series with appreciable optical characteristics.
Phys Chem Chem Phys
; 22(42): 24337-24350, 2020 Nov 14.
Artículo
en Inglés
| MEDLINE | ID: mdl-33063074
11.
Nature of halogen-centered intermolecular interactions in crystal growth and design: Fluorine-centered interactions in dimers in crystalline hexafluoropropylene as a prototype.
J Comput Chem
; 40(20): 1836-1860, 2019 Jul 30.
Artículo
en Inglés
| MEDLINE | ID: mdl-31017721
12.
The chalcogen bond: can it be formed by oxygen?
Phys Chem Chem Phys
; 21(36): 19969-19986, 2019 Sep 18.
Artículo
en Inglés
| MEDLINE | ID: mdl-31478046
13.
Does Oxygen Feature Chalcogen Bonding?
Molecules
; 24(17)2019 Aug 30.
Artículo
en Inglés
| MEDLINE | ID: mdl-31480378
14.
Is the Fluorine in Molecules Dispersive? Is Molecular Electrostatic Potential a Valid Property to Explore Fluorine-Centered Non-Covalent Interactions?
Molecules
; 24(3)2019 Jan 22.
Artículo
en Inglés
| MEDLINE | ID: mdl-30678158
15.
Do surfaces of positive electrostatic potential on different halogen derivatives in molecules attract? like attracting like!
J Comput Chem
; 39(7): 343-350, 2018 Mar 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-29226338
16.
Halogen in materials design: Chloroammonium lead triiodide perovskite (ClNH3 PbI3 ) a dynamical bandgap semiconductor in 3D for photovoltaics.
J Comput Chem
; 39(23): 1902-1912, 2018 Sep 05.
Artículo
en Inglés
| MEDLINE | ID: mdl-30247769
17.
Revealing Factors Influencing the Fluorine-Centered Non-Covalent Interactions in Some Fluorine-Substituted Molecular Complexes: Insights from First-Principles Studies.
Chemphyschem
; 19(12): 1486-1499, 2018 06 19.
Artículo
en Inglés
| MEDLINE | ID: mdl-29569853
18.
A DFT assessment of some physical properties of iodine-centered halogen bonding and other non-covalent interactions in some experimentally reported crystal geometries.
Phys Chem Chem Phys
; 20(22): 15316-15329, 2018 Jun 06.
Artículo
en Inglés
| MEDLINE | ID: mdl-29796486
19.
Hybrid organic-inorganic CH3 NH3 PbI3 perovskite building blocks: Revealing ultra-strong hydrogen bonding and mulliken inner complexes and their implications in materials design.
J Comput Chem
; 38(32): 2802-2818, 2017 12 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-29047107
20.
Hexahalogenated and their mixed benzene derivatives as prototypes for the understanding of halogen···halogen intramolecular interactions: New insights from combined DFT, QTAIM-, and RDG-based NCI analyses.
J Comput Chem
; 36(31): 2328-43, 2015 Dec 05.
Artículo
en Inglés
| MEDLINE | ID: mdl-26505258