Работы, на которые ссылается эта работа

Работ: 32

Работа: Competition Between Halogen Atom and Ring of Halobenzenes as Hydrogen Bond Electron Donor Sites

Multiwfn: A multifunctional wavefunction analyzer
Tian Lu, Feiwu Chen
Статья2011Цитирований: 110
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
Статья2007Цитирований: 29
ABI
The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors
Samuel Francis Boys, Fernando Bernardi
Статья1970Цитирований: 25
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
Статья2013Цитирований: 17
ABI
Density Functional Theory and Hydrogen Bonds: Are We There Yet?
A. Daniel Boese
Статья2015Цитирований: 13
ABI
Hydrogen Bonding—New Insights
Sławomir J. Grabowski
Книга2006Цитирований: 11
ABI
Communication: Density functional theory overcomes the failure of predicting intermolecular interaction energies
Rafał Podeszwa, Krzysztof Szalewicz
Статья2012Цитирований: 11
ABI
Influence of the Substituents on the CH...π Interaction: Benzene–Methane Complex
S. Karthikeyan, V. Ramanathan, Brijesh Kumar Mishra
Статья2013Цитирований: 11
ABI
Further analysis and comparative study of intermolecular interactions using dimers from the S22 database
Laszlo Fusti Molnar, Xiao He, Bing Wang +1
Статья2009Цитирований: 10
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
Статья2011Цитирований: 10
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
Статья2017Цитирований: 10
ABI
OH···X (X = O, S) hydrogen bonding in thetrahydrofuran and tetrahydrothiophene
Himansu S. Biswal, Sanjay Wategaonkar
Статья2011Цитирований: 6
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
Статья2015Цитирований: 6
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
Статья2020Цитирований: 6
ABI
Effect of adjoining aromatic ring upon excited state proton transfer, o-hydroxybenzaldehyde
Martin Čuma, Steve Scheiner, Tapas Kar
Статья1999Цитирований: 5
ABI
The Prodigious Hydrogen Bonds with Sulfur and Selenium in Molecular Assemblies, Structural Biology, and Functional Materials
Apramita Chand, Dipak Kumar Sahoo, Abhijit Rana +2
Статья2020Цитирований: 5
ABI
On the Importance of CH/π and CH⋅⋅⋅HC Interactions in the Solid State Structure of 15‐Lipoxygenase Inhibitors Based on Eugenol Derivatives
Masoud Mirzaei, Mohsen Nikpour, Antonio Bauzá +1
Статья2015Цитирований: 3
ABI
Molecular orbital studies of enzyme activity: I: Charge relay system and tetrahedral intermediate in acylation of serine proteinases.
Steve Scheiner, D. A. KLEIER, William N. Lipscomb
Статья1975Цитирований: 3
ABI
Symmetry-adapted perturbation theory of nonadditive three-body interactions in van der Waals molecules. I. General theory
Robert Moszyński, Paul E. S. Wormer, Bogumił Jeziorski +1
Статья1995Цитирований: 3
ABI
Surfing π Clouds for Noncovalent Interactions: Arenes versus Alkenes
Abil E. Aliev, Josephine R. T. Arendorf, Ilias Pavlakos +4
Статья2014Цитирований: 3
ABI
Без названия
ДругоеЦитирований: 3
ABI
CH–π hydrogen bonds in biological macromolecules
Motohiro Nishio, Yōji Umezawa, Jacques Fantini +2
Статья2014Цитирований: 3
ABI
Excited-State Energetics and Proton-Transfer Barriers in Malonaldehyde
Karl Luth, Steve Scheiner
Статья1994Цитирований: 2
ABI
Theoretical study of H2O–HF and H2O–HCl: Comparison with experiment
M. M. Szczȩśniak, Steve Scheiner, Y. Bouteiller
Статья1984Цитирований: 2
ABI
Modeling the Histidine–Phenylalanine Interaction: The NH···π Hydrogen Bond of Imidazole·Benzene
Maria A. Trachsel, Philipp Ottiger, Hans‐Martin Frey +4
Статья2015Цитирований: 2
ABI