F. Yu

发表

DSD-PBEP86-NL and DOD-PBEP86-NL functionals for noncovalent interactions: Basis set effects and tentative applications to large noncovalent systems

F. Yu, Ling‐Xiao Fu, Yu Yang, 2017 .

Spin-Component-Scaled Double-Hybrid Density Functionals with Nonlocal van der Waals Correlations for Noncovalent Interactions.

F. Yu, 2014, Journal of chemical theory and computation.

Double-hybrid density functionals free of dispersion and counterpoise corrections for non-covalent interactions.

F. Yu, 2014, The journal of physical chemistry. A.

Intermolecular interactions of formic acid with benzene: Energy decomposition analyses with ab initio MP2 and double-hybrid density functional computations

F. Yu, 2013 .

Mechanistic Investigation on the Reaction of O− with CH3CN Using Density Functional Theory

F. Yu, Xiaoguo Zhou, Shilin Liu, 2010 .

Franck-Condon simulation of the anion photoelectron spectroscopy of CrO2 by coherent state method

F. Yu, Guohua Xu, 2015 .

Origin of the Microsolvation Effect on the Central Barriers of SN2 Reactions.

F. Yu, 2022, The journal of physical chemistry. A.

Theoretical investigation of the reaction mechanism of atomic oxygen radical anion with pyridine

F. Yu, Xiaoguo Zhou, Shilin Liu, 2010 .

Investigation of the Mechanism of the Reaction between Atomic Oxygen Radical Anion and Benzene

F. Yu, Xiaoguo Zhou, Shilin Liu, 2006 .

Theoretical study on the reaction of Be(3P) with methane

F. Yu, Yuanqin Yu, Xiaoguo Zhou, 2010 .

Dynamic exit-channel pathways of the microsolvated HOO-(H2O) + CH3Cl SN2 reaction: Reaction mechanisms at the atomic level from direct chemical dynamics simulations.

F. Yu, 2018, The Journal of chemical physics.

Dynamic reaction pathways of anionic products on the exit-channel potential energy surface for the reaction of O− with C2H4

F. Yu, Xiaoguo Zhou, Shilin Liu, 2010 .

Static and dynamic reaction pathways involved in the reaction of O− and CH3F

F. Yu, Xiaoguo Zhou, Shilin Liu, 2010 .

Dual‐hybrid direct random phase approximation and second‐order screened exchange with nonlocal van der Waals correlations for noncovalent interactions

Feng Yu, Yaoting Wang, F. Yu, 2020, J. Comput. Chem..

Dynamic Reaction Mechanisms of ClO(-) with CH3Cl: Comparison Between Direct Dynamics Trajectory Simulations and Experiment.

F. Yu, 2016, The journal of physical chemistry. A.

Assessment of ab initio MP2 and density functionals for characterizing the potential energy profiles of the SN2 reactions at N center

Feng Yu, F. Yu, 2012, J. Comput. Chem..

Ab initio molecular dynamics investigations on the SN2 reactions of OH− with NH2F and NH2Cl

Feng Yu, F. Yu, Xiaoguo Zhou, 2011 .

Comparison of one‐parameter and linearly scaled one‐parameter double‐hybrid density functionals for noncovalent interactions

F. Yu, Ling‐Xiao Fu, 2016 .

Noncovalent Interactions in Hydrated Nitrosonium Ion Clusters Mediated by Hydrogen-Bonded Water Networks.

F. Yu, Guohua Xu, 2023, The journal of physical chemistry. A.

Ab Initio direct classical trajectory investigation on the SN2 reaction of F− with NH2F: Nonstatistical central barrier recrossing dynamics

Feng Yu, F. Yu, 2012, J. Comput. Chem..

Adsorption and dissociation of H2O on the Ga-rich GaAs(0 0 1)-(4 × 2) surface: DFT and DFT-D computations with a Ga7As8H11 cluster model

Yang Liu, F. Yu, Qing Lan, 2015 .

Assessment of ab initio MP2 and density functionals for characterizing the potential energy profiles of the SN2 reactions at N center

F. Yu, 2012, J. Comput. Chem..