247 related articles for article (PubMed ID: 18536054)
1. Steric repulsions, rotation barriers, and stereoelectronic effects: a real space perspective.
Pendás AM; Blanco MA; Francisco E
J Comput Chem; 2009 Jan; 30(1):98-109. PubMed ID: 18536054
[TBL] [Abstract][Full Text] [Related]
2. The nature of the hydrogen bond: a synthesis from the interacting quantum atoms picture.
Martín Pendás A; Blanco MA; Francisco E
J Chem Phys; 2006 Nov; 125(18):184112. PubMed ID: 17115743
[TBL] [Abstract][Full Text] [Related]
3. Origin of rotational barriers of the N-N bond in hydrazine: NBO analysis.
Song JW; Lee HJ; Choi YS; Yoon CJ
J Phys Chem A; 2006 Feb; 110(5):2065-71. PubMed ID: 16451044
[TBL] [Abstract][Full Text] [Related]
4. Restoring orbital thinking from real space descriptions: bonding in classical and non-classical transition metal carbonyls.
Tiana D; Francisco E; Blanco MA; Macchi P; Sironi A; Martín Pendás A
Phys Chem Chem Phys; 2011 Mar; 13(11):5068-77. PubMed ID: 21298138
[TBL] [Abstract][Full Text] [Related]
5. Toward understanding the nature of internal rotation barriers with a new energy partition scheme: ethane and n-butane.
Liu S; Govind N
J Phys Chem A; 2008 Jul; 112(29):6690-9. PubMed ID: 18563887
[TBL] [Abstract][Full Text] [Related]
6. Theoretical analysis of the rotational barrier of ethane.
Mo Y; Gao J
Acc Chem Res; 2007 Feb; 40(2):113-9. PubMed ID: 17309192
[TBL] [Abstract][Full Text] [Related]
7. Orbital overlap and chemical bonding.
Krapp A; Bickelhaupt FM; Frenking G
Chemistry; 2006 Dec; 12(36):9196-216. PubMed ID: 17024702
[TBL] [Abstract][Full Text] [Related]
8. Merging the Energy Decomposition Analysis with the Interacting Quantum Atoms Approach.
Gimferrer M; Danés S; Andrada DM; Salvador P
J Chem Theory Comput; 2023 Jun; 19(12):3469-3485. PubMed ID: 37246911
[TBL] [Abstract][Full Text] [Related]
9. Role of the Fermi surface in adsorbate-metal interactions: an energy decomposition analysis.
Philipsen PH; Baerends EJ
J Phys Chem B; 2006 Jun; 110(25):12470-9. PubMed ID: 16800574
[TBL] [Abstract][Full Text] [Related]
10. The interplay between steric and electronic effects in S(N)2 reactions.
Fernández I; Frenking G; Uggerud E
Chemistry; 2009; 15(9):2166-75. PubMed ID: 19142945
[TBL] [Abstract][Full Text] [Related]
11. Hyperconjugation not steric repulsion leads to the staggered structure of ethane.
Pophristic V; Goodman L
Nature; 2001 May; 411(6837):565-8. PubMed ID: 11385566
[TBL] [Abstract][Full Text] [Related]
12. The Barrier to Internal Rotation in Ethane: A qualitative, intuitively useful explanation emerges from a comparison of different theoretical approaches.
Lowe JP
Science; 1973 Feb; 179(4073):527-32. PubMed ID: 17820804
[TBL] [Abstract][Full Text] [Related]
13. Steric strain versus hyperconjugative stabilization in ethane congeners.
Song L; Lin Y; Wu W; Zhang Q; Mo Y
J Phys Chem A; 2005 Mar; 109(10):2310-6. PubMed ID: 16839001
[TBL] [Abstract][Full Text] [Related]
14. Real-Space In Situ Bond Energies: Toward A Consistent Energetic Definition of Bond Strength.
Menéndez-Crespo D; Costales A; Francisco E; Martín Pendás Á
Chemistry; 2018 Jun; 24(36):9101-9112. PubMed ID: 29655238
[TBL] [Abstract][Full Text] [Related]
15. Hydrogen-hydrogen bonding in planar biphenyl, predicted by atoms-in-molecules theory, does not exist.
Poater J; Solà M; Bickelhaupt FM
Chemistry; 2006 Mar; 12(10):2889-95. PubMed ID: 16528767
[TBL] [Abstract][Full Text] [Related]
16. Steric effect: a quantitative description from density functional theory.
Liu S
J Chem Phys; 2007 Jun; 126(24):244103. PubMed ID: 17614533
[TBL] [Abstract][Full Text] [Related]
17. Chemical bonding in view of electron charge density and kinetic energy density descriptors.
Jacobsen H
J Comput Chem; 2009 May; 30(7):1093-102. PubMed ID: 19090572
[TBL] [Abstract][Full Text] [Related]
18. Using pseudopotentials within the interacting quantum atoms approach.
Tiana D; Francisco E; Blanco MA; Pendás AM
J Phys Chem A; 2009 Jul; 113(27):7963-71. PubMed ID: 19537696
[TBL] [Abstract][Full Text] [Related]
19. Bond paths as privileged exchange channels.
Pendás AM; Francisco E; Blanco MA; Gatti C
Chemistry; 2007; 13(33):9362-71. PubMed ID: 17674344
[TBL] [Abstract][Full Text] [Related]
20. Binding energies of first row diatomics in the light of the interacting quantum atoms approach.
Pendás AM; Francisco E; Blanco MA
J Phys Chem A; 2006 Nov; 110(47):12864-9. PubMed ID: 17125302
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
