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Иш: Competition between Binding to Various Sites of Substituted Imidazoliums

Multiwfn: A multifunctional wavefunction analyzer
Tian Lu, Feiwu Chen
Мақола2011110 иқтибос
ABI
The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals
Yan Zhao, Donald G. Truhlar
Мақола200729 иқтибос
ABI
The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors
Samuel Francis Boys, Fernando Bernardi
Мақола197025 иқтибос
ABI
Performance of M06, M06-2X, and M06-HF Density Functionals for Conformationally Flexible Anionic Clusters: M06 Functionals Perform Better than B3LYP for a Model System with Dispersion and Ionic Hydrogen-Bonding Interactions
Martin Walker, Andrew J. A. Harvey, Ananya Sen +1
Мақола201317 иқтибос
ABI
Density Functional Theory and Hydrogen Bonds: Are We There Yet?
A. Daniel Boese
Мақола201513 иқтибос
ABI
Communication: Density functional theory overcomes the failure of predicting intermolecular interaction energies
Rafał Podeszwa, Krzysztof Szalewicz
Мақола201211 иқтибос
ABI
Influence of the Substituents on the CH...π Interaction: Benzene–Methane Complex
S. Karthikeyan, V. Ramanathan, Brijesh Kumar Mishra
Мақола201311 иқтибос
ABI
Further analysis and comparative study of intermolecular interactions using dimers from the S22 database
Laszlo Fusti Molnar, Xiao He, Bing Wang +1
Мақола200910 иқтибос
ABI
The structure and interaction energies of the weak complexes of CHClF2 and CHF3 with HCCH: a test of density functional theory methods
Mark A. Vincent, Ian H. Hillier
Мақола201110 иқтибос
ABI
Can DFT and ab initio methods adequately describe binding energies in strongly interacting C6X6⋯C2X π–π complexes?
Berthelot Saïd Duvalier Ramlina Vamhindi, Amir Karton
Мақола201710 иқтибос
ABI
The Halogen Bond
Gabriella Cavallo, Pierangelo Metrangolo, Roberto Milani +4
Шарҳ мақола20168 иқтибос
ABI
The Nature of the Hydrogen Bond
Gastone Gilli, P. Gilli
Китоб20097 иқтибос
ABI
Hydrogen Bonding
Steve Scheiner
Китоб19977 иқтибос
ABI
Influence of Substituents in the Benzene Ring on the Halogen Bond of Iodobenzene with Ammonia
Steve Scheiner, Sarah Hunter
Мақола20226 иқтибос
ABI
Halogen Bond and Its Counterparts: Bent’s Rule Explains the Formation of Nonbonding Interactions
Sławomir J. Grabowski
Мақола20116 иқтибос
ABI
Halogen bonding: the σ-hole
Timothy Clark, Matthias Hennemann, Jane S. Murray +1
Мақола20065 иқтибос
ABI
Effect of adjoining aromatic ring upon excited state proton transfer, o-hydroxybenzaldehyde
Martin Čuma, Steve Scheiner, Tapas Kar
Мақола19995 иқтибос
ABI
Effects of carbon chain substituents on the P⋯N noncovalent bond
Upendra Adhikari, Steve Scheiner
Мақола20125 иқтибос
ABI
The Dominant Role of Chalcogen Bonding in the Crystal Packing of 2D/3D Aromatics
Jindřich Fanfrlík, Adam Přáda, Z. Padělková +7
Мақола20145 иқтибос
ABI
Sensitivity of noncovalent bonds to intermolecular separation: hydrogen, halogen, chalcogen, and pnicogen bonds
Steve Scheiner
Мақола20125 иқтибос
ABI
Pnicogen–π complexes: theoretical study and biological implications
Antonio Bauzá, David Quiñonero, Pere M. Deyà +1
Мақола20125 иқтибос
ABI
On the Importance of Halogen Bonding Interactions in Two X-ray Structures Containing All Four (F, Cl, Br, I) Halogen Atoms
Dmitriy F. Mertsalov, Rosa M. Gomila, Vladimir P. Zaytsev +4
Мақола20215 иқтибос
ABI
Do intramolecular halogen bonds exist? Ab initio calculations and crystal structures’ evidences
Marcin Palusiak, Sławomir J. Grabowski
Мақола20075 иқтибос
ABI
The Halogen Bond in Weakly Bonded Complexes and the Consequences for Aromaticity and Spin-Orbit Coupling
Ana V. Cunha, Remco W. A. Havenith, Jari van Gog +3
Мақола20235 иқтибос
ABI
CH⋯π and π⋯π interaction in benzene–acetylene clusters
Moumita Majumder, Brijesh Kumar Mishra, N. Sathyamurthy
Мақола20124 иқтибос
ABI