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Иш: Types of noncovalent bonds within complexes of thiazole with CF4 and SiF4

π-Hole Tetrel Bonds—Lewis Acid Properties of Metallylenes
Sławomir J. Grabowski
Мақола20223 иқтибос
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Relation between Halogen Bond Strength and IR and NMR Spectroscopic Markers
Akhtam Amonov, Steve Scheiner
МақолаCrystallography and molecular interactionsMolecules20232 иқтибос
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Steric Crowding in Tetrel Bonds
Steve Scheiner
Мақола20182 иқтибос
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Implications of monomer deformation for tetrel and pnicogen bonds
Wiktor Zierkiewicz, Mariusz Michalczyk, Steve Scheiner
Мақола20182 иқтибос
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Comment on “On the importance of the fragment relaxation energy terms in the estimation of the basis set superposition error correction to the intermolecular interaction energy” [J. Chem. Phys. 104, 8821 (1996)]
Krzysztof Szalewicz, Bogumił Jeziorski
Мақола19982 иқтибос
ABI
O–H···S Hydrogen Bonds Conform to the Acid–Base Formalism
Surjendu Bhattacharyya, Aditi Bhattacherjee, Pranav R. Shirhatti +1
Мақола20132 иқтибос
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Characterizing and Understanding the Remarkably Slow Basis Set Convergence of Several Minnesota Density Functionals for Intermolecular Interaction Energies
Narbe Mardirossian, Martin Head‐Gordon
Мақола20132 иқтибос
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Assessment of binding energies of atmospherically relevant clusters
Jonas Elm, Merete Bilde, Kurt V. Mikkelsen
Мақола20132 иқтибос
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Quantum Mechanical Calculation of Noncovalent Interactions: A Large-Scale Evaluation of PMx, DFT, and SAPT Approaches
Amanda Li, Hari S. Muddana, Michael K. Gilson
Мақола20142 иқтибос
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Theoretical Study of the Binding Energy of a Methane Molecule in a (H2O)20 Dodecahedral Cage
Michael J. Deible, Tuguldur T. Odbadrakh, Kenneth D. Jordan
Мақола20142 иқтибос
ABI
Heavy pnicogen atoms as electron donors in sigma-hole bonds
Akhtam Amonov, Steve Scheiner
МақолаInorganic Fluorides and Related CompoundsPhysical Chemistry Chemical Physics20232 иқтибос
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The potential energy surface of (NH3)2
Zdzisław Latajka, Steve Scheiner
Мақола19862 иқтибос
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Organoselenium Chemistry: Role of Intramolecular Interactions
Anna J. Mukherjee, Sanjio S. Zade, Harkesh B. Singh +1
Шарҳ мақола20102 иқтибос
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Intramolecular Pnicogen Interactions in PHF(CH2)nPHF (n=2–6) Systems
Goar Sánchez‐Sanz, Ibón Alkorta, Cristina Trujillo +1
Мақола20132 иқтибос
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The X–C···π (X = F, Cl, Br, CN) Carbon Bond
Devendra Mani, E. Arunan
Мақола20142 иқтибос
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Hydrogen bonds, and σ-hole and π-hole bonds – mechanisms protecting doublet and octet electron structures
Sławomir J. Grabowski
Мақола20172 иқтибос
ABI
Alkyl groups as electron density donors in π-hole bonding
Jorge Echeverría
Мақола20172 иқтибос
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Comparison of σ‐/π‐Hole Tetrel Bonds between TH3F/F2TO and H2CX (X=O, S, Se)
Wenbo Dong, Bingbo Niu, Shufeng Liu +3
Мақола20192 иқтибос
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Hexacoordinated Tetrel‐Bonded Complexes between TF4 (T=Si, Ge, Sn, Pb) and NCH: Competition between σ‐ and π‐Holes
Mariusz Michalczyk, Wiktor Zierkiewicz, Rafał Wysokiński +1
Мақола20192 иқтибос
ABI
The π‐hole tetrel bond between<scp>X2TO</scp>and<scp>CO2</scp>: Substituent effects and its potential adsorptivity for<scp>CO2</scp>
Mingchang Hou, Zhenbo Liu, Qingzhong Li
Мақола20202 иқтибос
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Ушбу иш иқтибос қилган ишлар

π-Hole Tetrel Bonds—Lewis Acid Properties of Metallylenes

Relation between Halogen Bond Strength and IR and NMR Spectroscopic Markers

Steric Crowding in Tetrel Bonds

Implications of monomer deformation for tetrel and pnicogen bonds

Comment on “On the importance of the fragment relaxation energy terms in the estimation of the basis set superposition error correction to the intermolecular interaction energy” [J. Chem. Phys. <b>104</b>, 8821 (1996)]

O–H···S Hydrogen Bonds Conform to the Acid–Base Formalism

Characterizing and Understanding the Remarkably Slow Basis Set Convergence of Several Minnesota Density Functionals for Intermolecular Interaction Energies

Assessment of binding energies of atmospherically relevant clusters

Quantum Mechanical Calculation of Noncovalent Interactions: A Large-Scale Evaluation of PMx, DFT, and SAPT Approaches

Theoretical Study of the Binding Energy of a Methane Molecule in a (H<sub>2</sub>O)<sub>20</sub> Dodecahedral Cage

Heavy pnicogen atoms as electron donors in sigma-hole bonds

The potential energy surface of (NH3)2

Organoselenium Chemistry: Role of Intramolecular Interactions

Intramolecular Pnicogen Interactions in PHF(CH<sub>2</sub>)<sub><i>n</i></sub>PHF (<i>n</i>=2–6) Systems

The X–C···π (X = F, Cl, Br, CN) Carbon Bond

Hydrogen bonds, and σ-hole and π-hole bonds – mechanisms protecting doublet and octet electron structures

Alkyl groups as electron density donors in π-hole bonding

Comparison of σ‐/π‐Hole Tetrel Bonds between TH<sub>3</sub>F/F<sub>2</sub>TO and H<sub>2</sub>CX (X=O, S, Se)

Hexacoordinated Tetrel‐Bonded Complexes between TF<sub>4</sub> (T=Si, Ge, Sn, Pb) and NCH: Competition between σ‐ and π‐Holes

The π‐hole tetrel bond between<scp>X<sub>2</sub>TO</scp>and<scp>CO<sub>2</sub></scp>: Substituent effects and its potential adsorptivity for<scp>CO<sub>2</sub></scp>

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