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Иш: Constructing an Optimum Receptor Based on Trifurcated Chalcogen Bonding

Multiwfn: A multifunctional wavefunction analyzer
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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
Atoms in Molecules
Richard F. W. Bader
Китоб199011 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
Halogen, Chalcogen, and Pnicogen Bonding Involving Hypervalent Atoms
Steve Scheiner, Jia Lu
Мақола20188 иқтибос
ABI
The Halogen Bond
Gabriella Cavallo, Pierangelo Metrangolo, Roberto Milani +4
Шарҳ мақола20168 иқтибос
ABI
Hydrogen Bonding in Biological Structures
George A. Jeffrey, Wolfram Saenger
Китоб19917 иқтибос
ABI
The Nature of the Hydrogen Bond
Gastone Gilli, P. Gilli
Китоб20097 иқтибос
ABI
Hydrogen Bonding
Steve Scheiner
Китоб19977 иқтибос
ABI
Toward Selection of Efficient Density Functionals for van der Waals Molecular Complexes: Comparative Study of C–H···π and N–H···π Interactions
Guvanchmyrat Paytakov, T. C. Dinadayalane, Jerzy Leszczyński
Мақола20156 иқтибос
ABI
P <scp>SI4</scp> 1.4: Open-source software for high-throughput quantum chemistry
Daniel G. A. Smith, Lori A. Burns, Andrew C. Simmonett +32
Мақола20206 иқтибос
ABI
Comparative Strengths of Tetrel, Pnicogen, Chalcogen, and Halogen Bonds and Contributing Factors
Wenbo Dong, Qingzhong Li, Steve Scheiner
Мақола20185 иқтибос
ABI
CH⋯π and π⋯π interaction in benzene–acetylene clusters
Moumita Majumder, Brijesh Kumar Mishra, N. Sathyamurthy
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ABI
Intermolecular MH···HR Bonding in Monohydride Mo and W Complexes
Galina Orlova, Steve Scheiner
Мақола19984 иқтибос
ABI
Sulfur–Oxygen Chalcogen Bonding Mediates AdoMet Recognition in the Lysine Methyltransferase SET7/9
Robert J. Fick, Grace Kroner, Binod Nepal +5
Мақола20154 иқтибос
ABI
Chalcogen Bonds Involving Selenium in Protein Structures
Oliviero Carugo, Giuseppe Resnati, Pierangelo Metrangolo
Мақола20214 иқтибос
ABI
Participation of S and Se in hydrogen and chalcogen bonds
Steve Scheiner
Мақола20214 иқтибос
ABI
Se⋅⋅⋅O/S and S⋅⋅⋅O Chalcogen Bonds in Small Molecules and Proteins: A Combined CSD and PDB Study
Himansu S. Biswal, Akshay Kumar Sahu, Bartomeu Galmés +2
Мақола20214 иқтибос
ABI