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

The Journal of chemical physics, 2018-07, Vol.149 (4), p.044112-044112

2018

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Nonorthogonal orbital based n-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

The Journal of chemical physics, 2014-10, Vol.141 (13), p.134118-134118

2014

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A Valence-Bond-Based Multiconfigurational Density Functional Theory: The λ-DFVB Method Revisited

Molecules (Basel, Switzerland), 2021-01, Vol.26 (3), p.521

2021

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Novel implementation of seniority number truncated valence bond methods with applications to H22 chain

The Journal of chemical physics, 2019-11, Vol.151 (19), p.194107-194107

2019

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XMVB 2.0: A new version of Xiamen valence bond program

International journal of quantum chemistry, 2015-06, Vol.115 (11), p.731-737

2015

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

Chemistry : a European journal, 2009-03, Vol.15 (12), p.2979-2989

2009

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Ab initio Valence Bond Theory with Density Functional

Current Chinese Science, 2023-04, Vol.3 (2), p.141-153

2023

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λ-Density Functional Valence Bond: A Valence Bond-Based Multiconfigurational Density Functional Theory With a Single Variable Hybrid Parameter

Frontiers in chemistry, 2019-04, Vol.7, p.225-225

2019

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VBEFP/PCM： a QM/MM/PCM approach for valence-bond method and its application for the vertical excitations of formaldehyde and acetone in aqueous solution

Science China. Chemistry, 2014-10, Vol.57 (10), p.1409-1417

2014

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

Chemphyschem, 2007-12, Vol.8 (18), p.2603-2614

2007

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

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2018-07, Vol.122 (27), p.5886-5894

2018

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Metal–Ligand Bonds in Rare Earth Metal–Biphenyl Complexes

Inorganic chemistry, 2022-05, Vol.61 (21), p.8135-8143

2022

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Revealing the biradicaloid nature inherited in the derivatives of thieno[3,4-][1,2,5]thiadiazole: a computational study

Physical chemistry chemical physics : PCCP, 2021-01, Vol.23 (2), p.15-161

2021

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

Journal of organic chemistry, 2014-02, Vol.79 (4), p.1571-1581

2014

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Implementation of molecular symmetry in valence bond calculation

Journal of the Chinese Chemical Society (Taipei), 2023-03, Vol.70 (3), p.341-348

2023

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Mechanism of photocatalyzed imine conversion: a relay process of sequential energy transfer, single electron transfer and proton transfer

Organic Chemistry Frontiers, 2023-09, Vol.10 (18), p.4565-4572

2023

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Hamiltonian Matrix Correction Based Density Functional Valence Bond Method

Journal of chemical theory and computation, 2017-02, Vol.13 (2), p.627-634

2017

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DFVB: A Density-Functional-Based Valence Bond Method

Journal of chemical theory and computation, 2012-05, Vol.8 (5), p.1608-1615

2012

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

Journal of the American Chemical Society, 2011-08, Vol.133 (34), p.13731-13736

2011

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VBEFP: A Valence Bond Approach That Incorporates Effective Fragment Potential Method

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2012-02, Vol.116 (7), p.1846-1853

2012

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Primary Exophytic Extraskeletal Osteosarcoma of the Liver: A Case Report and Literature Review

Risk management and healthcare policy, 2021-01, Vol.14, p.1009-1014

2021

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Chemical Concepts from Ab Initio Valence Bond Theory

Exploring Chemical Concepts Through Theory and Computation, 2024

Liu, Shubin

2024

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Valence Bond Methods for Molecules in Solution

Reference Module in Chemistry, Molecular Sciences and Chemical Engineering, 2013

2013

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A Tutorial on XMVB

Reference Module in Chemistry, Molecular Sciences and Chemical Engineering, 2013

2013

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A hot start alternative for high-fidelity DNA polymerase amplification mediated by quantum dots

Acta biochimica et biophysica Sinica, 2014-06, Vol.46 (6), p.502-511

2014

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

Nonorthogonal orbital based n-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

A Valence-Bond-Based Multiconfigurational Density Functional Theory: The λ-DFVB Method Revisited

Novel implementation of seniority number truncated valence bond methods with applications to H22 chain

XMVB 2.0: A new version of Xiamen valence bond program

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

Ab initio Valence Bond Theory with Density Functional

λ-Density Functional Valence Bond: A Valence Bond-Based Multiconfigurational Density Functional Theory With a Single Variable Hybrid Parameter

VBEFP/PCM： a QM/MM/PCM approach for valence-bond method and its application for the vertical excitations of formaldehyde and acetone in aqueous solution

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

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

Metal–Ligand Bonds in Rare Earth Metal–Biphenyl Complexes

Revealing the biradicaloid nature inherited in the derivatives of thieno[3,4-][1,2,5]thiadiazole: a computational study

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

Implementation of molecular symmetry in valence bond calculation

Mechanism of photocatalyzed imine conversion: a relay process of sequential energy transfer, single electron transfer and proton transfer

Hamiltonian Matrix Correction Based Density Functional Valence Bond Method

DFVB: A Density-Functional-Based Valence Bond Method

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

VBEFP: A Valence Bond Approach That Incorporates Effective Fragment Potential Method

Primary Exophytic Extraskeletal Osteosarcoma of the Liver: A Case Report and Literature Review

Chemical Concepts from Ab Initio Valence Bond Theory

Valence Bond Methods for Molecules in Solution

A Tutorial on XMVB

A hot start alternative for high-fidelity DNA polymerase amplification mediated by quantum dots

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