Topology of Electron Charge Density for Chemical Bonds from Valence Bond Theory: A Probe of Bonding Types

Lixian Zhang, Fuming Ying, Wei Wu, +2

Chemistry - A European Journal

Topological PropertiesElectron DensityChemical BondsEngineeringPhysics +12

XMVB 2.0: A new version of Xiamen valence bond program

Zhenhua Chen, Fuming Ying, Xun Chen, +6

International Journal of Quantum Chemistry

X-ray CrystallographyX-ray SpectroscopyEngineeringTheoretical Inorganic ChemistryComputational Chemistry +15

How Solvent Influences the Anomeric Effect: Roles of Hyperconjugative versus Steric Interactions on the Conformational Preference

Changwei Wang, Fuming Ying, Wei Wu, +1

The Journal of Organic Chemistry

EngineeringComputational ChemistryChemistryMolecular DynamicsSolution (Chemistry) +15

DFVB: A Density-Functional-Based Valence Bond Method

Fuming Ying, Peifeng Su, Zhenhua Chen, +2

Journal of Chemical Theory and Computation

Nf MoleculeHigh AccuracyEngineeringPhysicsNatural Sciences +10

Nonorthogonal orbital based <i>n</i>-body reduced density matrices and their applications to valence bond theory. III. Second-order perturbation theory using valence bond self-consistent field function as reference

Zhenhua Chen, Xun Chen, Fuming Ying, +3

The Journal of Chemical Physics

EngineeringCorrection Wave FunctionFull Configuration InteractionComputational ChemistryChemistry +14

The Menshutkin Reaction in the Gas Phase and in Aqueous Solution: A Valence Bond Study

Peifeng Su, Fuming Ying, Wei Wu, +2

ChemPhysChem

Chemical EngineeringEngineeringPhysicsGas PhaseValence Bond Method +13

Sensing or No Sensing: Can the Anomeric Effect Be Probed by a Sensing Molecule?

Changwei Wang, Fuming Ying, Wei Wu, +1

Journal of the American Chemical Society

EngineeringPeptide ScienceAnomeric Effect BeSpectra-structure CorrelationBiosensing Systems +18

Hamiltonian Matrix Correction Based Density Functional Valence Bond Method

Chen Zhou, Yang Zhang, Xiping Gong, +3

Journal of Chemical Theory and Computation

Numerical AnalysisHamiltonian Matrix CorrectionEngineeringPhysicsNatural Sciences +10

Explicit construction of diabatic state and its application to the direct evaluation of electronic coupling

Xuhui Lin, Xin Liu, Fuming Ying, +2

The Journal of Chemical Physics

Localized Excited StateEngineeringComputational ChemistryChemistryElectronic Excited State +19

Valence Bond Based Energy Decomposition Analysis Scheme and Its Application to Cation−π Interactions

Yang Zhang, Fuming Ying, Peifeng Su, +1

The Journal of Physical Chemistry A