D. Shi

发表

A theoretical study on the electronically excited-state spectroscopic properties of phosphorus nitride

Hui Liu, Zun-lue Zhu, Huihua Zhang, 2022, Molecular Physics.

Transition properties of X2Σ+, A2Π, B2Σ+, C2Π, a4Σ+, and b4Δ states of boron monosulfide

D. Shi, Shan Sun, 2021 .

Radiative lifetimes of A2Π, B2Σ+, 22Π, 12Σ–, C2Δ, and a4Σ+ states of carbon monosulfide cation

D. Shi, Shan Sun, 2021 .

Radiative lifetimes of several doublet and quartet states of silicon boride

D. Shi, Shan Sun, 2021 .

Radiative lifetimes of the 11Σ–, 11Δ, 21Σ+, a3Π, 13Σ+, d3Δ, and e3Σ– states of carbon monosulfide

D. Shi, Shan Sun, 2020 .

Radiative properties of the six lowest–lying triplet and four lowest–lying singlet states of boron nitride molecule

Jinfeng Sun, D. Shi, Shan Sun, 2020 .

Transition properties of the X3Σ–g, A′3Δu, A3Σ+u, B′′3Πu, B3Σ–u, and B′3Πg states of sulphur dimer

Jinfeng Sun, D. Shi, W. Xing, 2020 .

Accurate predictions of spectroscopic and molecular properties of 20 low lying electronic states of SiP + cation

Jinfeng Sun, Zun-lue Zhu, Dan-na Zhou, 2017 .

Accurate spectroscopic calculations of the 22 Λ-S states and 60Ω states of the PS+ cation.

Hui Liu, Zun-lue Zhu, Jinfeng Sun, 2017, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Accurate MRCI calculations of the low-lying electronic states of the NCl molecule

Zun-lue Zhu, Jinfeng Sun, Ziyue Song, 2017 .

Accurate calculations of spectroscopic parameters, transition properties of 17 Λ-S states and 32 Ω states of SiB+ cation

Zun-lue Zhu, Jinfeng Sun, D. Shi, 2017 .

Accurate spectroscopic calculations of the 14Λ-S and 30Ω states of BF+ cation including the spin-orbit coupling effect.

Wenjie Zhu, Zun-lue Zhu, Jinfeng Sun, 2017, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Accurate spectroscopic calculations of the 19 Λ-S states and 36 Ω states of the BC+ cation

Jinfeng Sun, Zun-lue Zhu, D. Shi, 2017 .

Potential energy curves and spectroscopic parameters of the 24 Λ-S states and 54 Ω states of the F2+ cation including the spin-orbit coupling effect*

Hui Liu, Zun-lue Zhu, Jinfeng Sun, 2016 .

Accurate spectroscopic calculations of the 12 Λ-S and 25 Ω states of the NH radical including the spin-orbit coupling effect

Jinfeng Sun, Zun-lue Zhu, Ziyue Song, 2016 .

Accurate predictions of spectroscopic and molecular properties of 27 Λ-S and 73 Ω states of AsS radical.

Zun-lue Zhu, Xianghong Niu, Jinfeng Sun, 2016, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Calculations of 21 Λ-S and 42 Ω states of BC molecule: Potential energy curves, spectroscopic parameters and spin-orbit coupling effect.

Zun-lue Zhu, Jinfeng Sun, D. Shi, 2016, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Accurate spectroscopic properties of 10 Λ-S states and 25 Ω states of BS+ cation including the electronic transition properties

Zun-lue Zhu, Jinfeng Sun, Dan-na Zhou, 2015 .

Accurate spectroscopic properties of 19 low-lying states of PCl radical including the electronic transition properties.

Zun-lue Zhu, Jinfeng Sun, Xinxin Wang, 2015, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Accurate spectroscopic calculations of the 17 Λ-S and 59 Ω states of the AsP molecule including the spin-orbit coupling effect.

Zun-lue Zhu, Jinfeng Sun, D. Shi, 2015, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Theoretical spectroscopic calculations on the 25 Λ–S and 66 Ω states of N2+ cation in the gas phase including the spin–orbit coupling effect

Hui Liu, Jinfeng Sun, Zun-lue Zhu, 2014 .

Accurate calculations of spectroscopic properties for the 13 Λ-S states and the 23 Ω states of BO radical including the spin-orbit coupling effect.

Zun-lue Zhu, Jinfeng Sun, Wei Yu, 2014, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Accurate calculations of the 18 Λ-S states and 50 Ω states of PO+ cation: potential energy curves and spectroscopic parameters including the spin-orbit coupling effect

Zun-lue Zhu, D. Shi, Shuai Wang, 2014 .

Accurate calculations on the 12 electronic states and 23 Ω states of the SiBr+ cation: potential energy curves, spectroscopic parameters and spin-orbit coupling

Zun-lue Zhu, Jinfeng Sun, Wei Yu, 2014 .

Accurate calculations on the 22 electronic states and 54 spin-orbit states of the O2 molecule: potential energy curves, spectroscopic parameters and spin-orbit coupling.

Hui Liu, Zun-lue Zhu, Jinfeng Sun, 2014, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Accurate calculations on 12 Λ-S and 28 Ω states of BN+ cation: potential energy curves, spectroscopic parameters and spin-orbit coupling.

Zun-lue Zhu, Jinfeng Sun, D. Shi, 2014, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Accurate calculations on 9 Λ-S and 28 Ω states of NSe radical in the gas phase: potential energy curves, spectroscopic parameters and spin-orbit couplings.

Jinfeng Sun, Zun-lue Zhu, Peiling Li, 2014, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Extensive calculations on 12 Λ-S and 27 Ω states of PCl+ cation including spin-orbit coupling.

Jinfeng Sun, Zun-lue Zhu, Xianghong Niu, 2014, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Spin-orbit coupling splitting in the X(2)Π, A(2)Δ, B(2)Σ(-), C(2)Σ(+), D(2)Σ(+), F(2)Π and a(4)Σ(-) Λ-S states of SiH radical.

Zun-lue Zhu, Jinfeng Sun, Peiling Li, 2013, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Accurate theoretical study on 18 Λ-S and 50 Ω states of CS in the gas phase: potential energy curves, spectroscopic parameters, and spin-orbit coupling.

Jinfeng Sun, Zun-lue Zhu, Xianghong Niu, 2013, The Journal of chemical physics.

Calculations on thirteen Λ–S states of PO radical: Electronic structure, spectroscopy and spin–orbit coupling

Hui Liu, Jinfeng Sun, Zun-lue Zhu, 2013 .

Theoretical study of spectroscopic and molecular properties of several low‐lying electronic states of CO molecule

Wentao Li, Jinfeng Sun, Zun-lue Zhu, 2013 .

Potential energy curves, spectroscopic constants and spin-orbit coupling: A theoretical study on twelve triplet Λ-S states of Ge2 molecule

Hui Liu, Jinfeng Sun, Zun-lue Zhu, 2013 .

Spin–orbit coupling effects in the ground state and four low-lying excited valence states a1Δ, B3Σ−, 13Δ and 13Σ+ of SeS molecule

Jinfeng Sun, Zun-lue Zhu, Xianghong Niu, 2013 .

MRCI study on electronic spectrum of 13 electronic states of SiP molecule.

Hui Liu, Jinfeng Sun, Zun-lue Zhu, 2012, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Spectroscopic constants and molecular properties of the X2Π and a4Σ− electronic states of the SiF radical

Wentao Li, Jinfeng Sun, Zun-lue Zhu, 2012 .

Investigation of Spectroscopic Properties and Spin-Orbit Splitting in the X2Π and A2Π Electronic States of the SO+ Cation

Jinfeng Sun, Zun-lue Zhu, D. Shi, 2012, International journal of molecular sciences.

Electronic spectrum of 17 electronic states of BN molecule: a theoretical study.

Hui Liu, Jinfeng Sun, Zun-lue Zhu, 2012, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Spectroscopic constants and molecular properties of A3Σu+, B3Πg, W3Δu, and B′3Σu− electronic states of the N2 molecule

Jinfeng Sun, Zun-lue Zhu, Yufang Liu, 2012 .

MRCI study on electronic spectrum of several low-lying electronic states of the SiO+ cation

Wentao Li, Jinfeng Sun, Zun-lue Zhu, 2012, Computational and Theoretical Chemistry.

MRCI study of potential energy curves, spectroscopic and molecular properties of the CO+ cation

Wentao Li, Jinfeng Sun, Zun-lue Zhu, 2011 .

Spectroscopic and molecular properties of 14 selected electronic states of Si2 molecule

Hui Liu, Jinfeng Sun, Zun-lue Zhu, 2011 .

MRCI study on spectroscopic and molecular properties of several low-lying electronic states of the CN radical

Wentao Li, Jinfeng Sun, Zun-lue Zhu, 2011 .

Spectroscopic and molecular properties of X1Σ+, a3Σ+, b3Π, d3Δ, C1Σ−, e3Σ−, D1Δ and A1Π electronic states of SiS molecule

Jinfeng Sun, Zun-lue Zhu, Yufang Liu, 2011 .

Theoretical studies on the SiC radical: electronic structure, spectroscopy and spin-orbit couplings

Z. L. Zhu, D. Shi, W. Xing, 2012, The European Physical Journal D.

Theoretical study on thirteen Λ-S states of the SiN radical: potential energy curves, spectroscopic parameters and spin-orbit couplings

Jinfeng Sun, Zun-lue Zhu, D. Shi, 2013 .

Structural, electronic, elastic and thermal properties of Mg2Si

Deheng Shi, Ben-hai Yu, Dong Chen, 2010 .

First-principles calculations of LaNi5−xSnxHy intermetallics and intermediate phase

Benhai Yu, Dong Chen, Jing-Dong Chen, 2009 .

Structural, elastic and thermal properties of the compound LaNi4.5Sn0.5

Deheng Shi, Ben-hai Yu, Dong Chen, 2009 .

Time‐dependent density functional theory study on the electronic excited‐state geometric structure, infrared spectra, and hydrogen bonding of a doubly hydrogen‐bonded complex

Jinfeng Sun, Yufang Liu, Ruiqiong Liu, 2009, J. Comput. Chem..

A theoretical study on 2′-deoxyguanosine and its mono-hydration: Intermolecular hydrogen bonding weakening induces the fluorescence strengthening

Deheng Shi, Jinfeng Sun, Yufang Liu, 2012 .

Excited-states and spectroscopic properties of superoxide anion: a theoretical study including spin–orbit coupling

Hui Liu, Deheng Shi, Zun-lue Zhu, 2016 .

Accurate analytic potential energy function and spectroscopic study for CH(X2π) radical using coupled-cluster theory in combination with the correlation-consistent quintuple basis set

Zun-lue Zhu, Yufang Liu, Jinfeng Sun, 2008 .

Accurate spectroscopic calculations of 21 electronic states of ClO radical including transition properties.

Deheng Shi, Zun-lue Zhu, Jinfeng Sun, 2016, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Theoretical study on the excited-state photoinduced electron transfer facilitated by hydrogen bonding strengthening in the C337–AN/MAN complexes

Yufang Liu, Jinfeng Sun, Dapeng Yang, 2012 .

Revisiting the electronic excited-state hydrogen bonding dynamics of coumarin chromophore in alcohols: Undoubtedly strengthened not cleaved

Jinfeng Sun, Ruiqiong Liu, Junxia Ding, 2009 .

Rovibrational transition properties of the X1Σ+ and A1Π states of carbon monosulfide

Deheng Shi, Jinfeng Sun, Wei Xing, 2020, Molecular Physics.

Spectroscopic constants and molecular properties of , A2Πu, and D2Πg electronic states of the ion

Deheng Shi, Jinfeng Sun, Zun-lue Zhu, 2011 .

Transition properties of the X1Σ+, I1Σ−, A1Π, D1Δ, B1Σ+, and a3Π states of carbon monoxide

Deheng Shi, Meng Zhang, D. Shi, 2021 .

Potential energy curves, spectroscopic parameters, and spin-orbit coupling: a theoretical study on 24 Λ-S and 54 Ω states of C2(+) cation.

Deheng Shi, Jinfeng Sun, Zun-lue Zhu, 2013, The journal of physical chemistry. A.

MRCI study of the spectroscopic parameters and transition properties of the 36 low-lying electronic states of the B2 molecule.

Zun-lue Zhu, Jinfeng Sun, D. Shi, 2017, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Geometric shielding corrections for total cross section calculations of electron scattering by CH4, C2H6, C2H3F3, C2H4, C2F4, C2Cl4 and C2Cl2F2 from 30–5000 eV

J. Sun, H. Ma, Y. F. Liu, 2007 .

Transition dipole moments and probabilities of the CCl radicals

Deheng Shi, Jinfeng Sun, Y. Yin, 2019, Journal of Quantitative Spectroscopy and Radiative Transfer.

Total cross sections for electron scattering by CF4, CCl4, CF2Cl2, CClF3 and CFCl3 at 30–5000 eV: A modified additivity rule approach

Jinfeng Sun, Zun-lue Zhu, Yufang Liu, 2007 .

Total cross section for electron scattering by H2S and C2F6 at 30–5000 eV: Considering the geometric shielding effect

Jinfeng Sun, Yufang Liu, Z. L. Zhu, 2006 .

Accurate potential energy curves, spectroscopic parameters, transition dipole moments, and transition probabilities of 21 low–lying states of the CO+ cation

Zun-lue Zhu, Jinfeng Sun, Ji-cai Zhang, 2018 .

Stereodynamics of the O( 3 P) with H 2 (D 2 ) ( v = 0, j = 0) reaction

Deheng Shi, Yufang Liu, Jinfeng Sun, 2011 .

Stereodynamics Study of the Reaction of O(3P) with CH4 (v = 0, j = 0)

Deheng Shi, Jinfeng Sun, Yufang Liu, 2009, International journal of molecular sciences.

Geometric shielding corrections for calculation of electron scattering by CO2, C2H2, CHCl3, CH2Cl2, CH3Cl, CHF3, CH2F2 and CH3F at 30-5000 eV

Heng Ma, Deheng Shi, Zun-lue Zhu, 2008 .

Theoretical investigations on the SH+(X3Σ−) ion using coupled-cluster theory in combination with the correlation-consistent quintuple basis set augmented with diffuse functions

Zun-lue Zhu, Yufang Liu, Jinfeng Sun, 2009 .

Effects on spectroscopic parameters of several low-lying electronic states of GeS by core–valence correlation and relativistic corrections

Hui Liu, J. Sun, Deheng Shi, 2011 .

Rotational and rovibrational transitions in the a 1Δ2 and b 1Σ+0+ states of sulfur monoxide radical

Deheng Shi, Jinfeng Sun, Wei Xing, 2020, Molecular Physics.

Spectroscopic Parameters of X3Σ−, a1Δ, and A′3Δ Electronic States of SO Radical

Jiemin Wang, Jinfeng Sun, Zun-lue Zhu, 2012 .

Investigations on spectroscopic properties of SiH(X2Π) radical using coupled-cluster theory in combination with the correlation-consistent quintuple basis set

Zun-lue Zhu, Yufang Liu, Jinfeng Sun, 2008 .

Theoretical investigation of PH(X3Σ−) radical: Analytic potential energy function, spectroscopic parameters and vibrational manifolds (J = 0)

Yufang Liu, Jinfeng Sun, Jin-Ping Zhang, 2008 .

Spectroscopic investigations on HBr+ (X2Π) ion using CCSD(T) theory in combination with cc‐pV5Z basis set

Hui Liu, Jinfeng Sun, Zun-lue Zhu, 2011 .

Modeling the Normal Spectral Emissivity of Red Copper T2 at 800–1,100 K During the Growth of Oxide Layer

Zun-lue Zhu, Jinfeng Sun, D. Shi, 2015, Transactions of the Indian Institute of Metals.

Emissivity model of steel 430 during the growth of oxide layer at 800 - 1100 K and 1.5 μm

Zun-lue Zhu, Jinfeng Sun, D. Shi, 2018 .

Modeling and Predicting the Effect of Surface Oxidation on the Normal Spectral Emissivity of Aluminum 5052 at 800 K to 910 K

Zun-lue Zhu, Jinfeng Sun, D. Shi, 2016 .

Modeling the effect of surface oxidation on the normal spectral emissivity of steel 316L at 1.5 μm over the temperatures ranging from 800 to 1100 K in air

Zun-lue Zhu, Jinfeng Sun, D. Shi, 2015 .

Spectral emissivity modeling of steel 201 during the growth of oxidation film over the temperature range from 800 to 1100 K in air

Zun-lue Zhu, Jinfeng Sun, Baokui Wang, 2014 .

Excited-state N-H···S hydrogen bond between indole and dimethyl sulfide: time-dependent density functional theory study.

Deheng Shi, Jinfeng Sun, Yufang Liu, 2011, Physical chemistry chemical physics : PCCP.

Spectroscopic investigations on AlH(X1Σ+) radical using multireference configuration interaction theory in combination with correlation-consistent quintuple basis set augmented with diffuse functions

Hui Liu, Deheng Shi, Jinfeng Sun, 2011 .

MRCI study on spectroscopic parameters and molecular constants of the ground state of AsP(X1 Σ+ ) molecule

Deheng Shi, Jinfeng Sun, Yufang Liu, 2012 .

Accurate ab initio potential of CO(X1Σ+) at low cost via correlation scaling and extrapolation method

J. Sun, Deheng Shi, Jian-min Sun, 2011 .

Investigations on adiabatic potential energy curve of 7Li2(c3Σg

Heng Ma, Deheng Shi, Zun-lue Zhu, 2007 .

A theoretical study of the potential curves for C′1Δ and a3Π states of BH

Zun-lue Zhu, Jinfeng Sun, Zheng-he Zhu, 2007 .

These effects of spin–orbit coupling, core–valence correlation and scalar relativistic correction on spectroscopic calculations for PN+ cation

Deheng Shi, Jinfeng Sun, Zun-lue Zhu, 2016 .

MRCI study on spectroscopic and molecular properties of B1Δg, , C1Πg, , and 11Δu electronic states of the C2 radical

Jinfeng Sun, Zun-lue Zhu, Xiaonan Zhang, 2011 .

MRCI study of spectroscopic and molecular properties of X2Πg, a 4Πu, A2Πu, b 4 , D2Δg and B2 electronic states of ion

Deheng Shi, Jinfeng Sun, Zun-lue Zhu, 2011 .

MRCI study on spectroscopic and molecular properties of four low-lying electronic states of the BO radical

Hui Liu, J. Sun, Deheng Shi, 2010 .

MRCI study on spectroscopic parameters and molecular constants of ground and three low-lying excited electronic states of the GeO molecule

Hui Liu, Deheng Shi, Jinfeng Sun, 2010 .

Accurate ab initio study of low-lying electronic states of phosphorus nitride radical

Jiemin Wang, Jin-Feng Sun, D. Shi, 2010 .

Accurate ab initio study on the A2Π, 1(4)Σ+, 1(4)Π, 2(4)Π and 1(6)Σ+ electronic states of AlO radical including spin-orbit coupling.

Hui Liu, Deheng Shi, Jinfeng Sun, 2013, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Accurate calculations on 20 Λ–S states of the BP radical: potential energy curves, spectroscopic parameters, and electronic transition properties

Jinfeng Sun, Xinxin Wang, D. Shi, 2015 .

Potential Energy Curves, Transition Dipole Moments, and Franck-Condon Factors of the 12 Low-Lying States of BrO- Anion.

Deheng Shi, Zun-lue Zhu, Jinfeng Sun, 2017, The journal of physical chemistry. A.

Multireference configuration interaction study of ground and low-lying excited states of BrO radical

Deheng Shi, Jinfeng Sun, Zun-lue Zhu, 2017 .

Extensive spectroscopic calculations of the 21 Λ-S and 74 Ω states of the AsN molecule including the spin-orbit coupling effect

Hui Liu, Deheng Shi, Jinfeng Sun, 2015 .

Theoretical studies on 14 Λ-S and 30 Ω states of BeBr molecule: potential energy curves, spectroscopic parameters and spin–orbit couplings

Deheng Shi, Jinfeng Sun, Zun-lue Zhu, 2014 .

Theoretical calculations on 12 Λ-S and 23 Ω states of CBr+ cation in the gas phase: Potential energy curves, spectroscopic parameters and spin–orbit coupling

Deheng Shi, Jinfeng Sun, Zun-lue Zhu, 2014 .

Investigations on spectroscopic properties of ND(X3Σ−) radical using coupled-cluster theory in combination with the correlation-consistent quintuple basis set augmented with diffuse functions

Yufang Liu, Zheng-he Zhu, Jin-Ping Zhang, 2009 .

Spectroscopic investigations on AsH(X3Σ−) radical using CCSD(T) theory in combination with correlation-consistent quintuple basis set

Hui Liu, Jinfeng Sun, Zun-lue Zhu, 2009 .

Theoretical investigations on the HF+(X2Π) ion using coupled-cluster theory in combination with the correlation-consistent quintuple basis set augmented with diffuse functions

Zun-lue Zhu, Yufang Liu, Jinfeng Sun, 2009 .

Transition properties of X1Σ+, A1Σ−, B1Δ, C1Π, a3Σ+, b3Δ, c3Π, and d3Σ− states of PO+

Deheng Shi, Meng Zhang, D. Shi, 2021 .

Transition probabilities of the X1Σ+, A1Π, B1Δ, C1Σ+, and D1Π states of the AlO+ cation

Jinfeng Sun, Yanan Feng, D. Shi, 2020, Molecular Physics.

Transition probabilities of the seven lowest–lying singlet states of the AlN radical

Zun-lue Zhu, Jinfeng Sun, D. Shi, 2019, Journal of Quantitative Spectroscopy and Radiative Transfer.

Rotationless radiative lifetimes and transition probabilities of some low-lying quintet states of the NS+ cation

Zun-lue Zhu, Jinfeng Sun, Dan-na Zhou, 2019, Journal of Quantitative Spectroscopy and Radiative Transfer.

Transition Dipole Moments and Transition Probabilities of the CN Radical

Deheng Shi, Zun-lue Zhu, Jinfeng Sun, 2018, Journal of Quantitative Spectroscopy and Radiative Transfer.

Transition Probabilities of Emissions and Rotationless Radiative Lifetimes of Vibrational Levels for the PO Radical

Zun-lue Zhu, Jinfeng Sun, Y. Yin, 2018, The Astrophysical Journal Supplement Series.

Spectroscopic parameters, vibrational levels, transition dipole moments and transition probabilities of the 9 low-lying states of the NCl+ cation.

Zun-lue Zhu, Jinfeng Sun, Y. Yin, 2018, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

MRCI study on the spectroscopic parameters, transition dipole moments and transition probabilities of 16 low-lying states of the BeB radical

Deheng Shi, Zun-lue Zhu, Jinfeng Sun, 2018 .

icMRCI+Q Study of the Spectroscopic Properties of the 14 Λ-S and 49 Ω States of the SiN− Anion in the Gas Phase

Jinfeng Sun, Zun-lue Zhu, D. Shi, 2018, Molecules.

Study on the spectroscopic parameters and transition probabilities of 25 low-lying states of the AlC+ cation

Deheng Shi, Zun-lue Zhu, Jinfeng Sun, 2017 .

Multireference configuration interaction study of the 21 low-lying states of the OF radical

Hui Liu, Deheng Shi, Zun-lue Zhu, 2017 .

Multireference configuration interaction study of the 27 low-lying states of the PF+ cation.

Hui Liu, Zun-lue Zhu, Jinfeng Sun, 2017, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Accurate multireference configuration interaction calculations of the 24 Λ-S states and 60 Ω states of the BO(+) cation.

Hui Liu, Deheng Shi, Zun-lue Zhu, 2016, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Accurate spectroscopic calculations of the 12 Λ-S states and 27 Ω states of NF+ cation including the spin–orbit coupling effect

Jinfeng Sun, Zun-lue Zhu, Wei Yu, 2014 .

Extensive spectroscopic calculations on 12 low-lying electronic states of AlN molecule including transition properties

Hui Liu, Deheng Shi, Jinfeng Sun, 2014 .

Theoretical study on ten Λ-S states of Si2(-) anion: potential energy curves, spectroscopy and spin-orbit couplings.

Hui Liu, Deheng Shi, Jinfeng Sun, 2013, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Extensive ab initio study of the electronic states of S2 molecule including spin-orbit coupling

Hui Liu, Deheng Shi, Jinfeng Sun, 2013 .

Radiative lifetimes of vibrational levels and transition probabilities of spontaneous emissions of the six lowest-lying triplet states of AlN radical.

Jinfeng Sun, Zun-lue Zhu, D. Shi, 2019, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Spectroscopic investigations on HBr(X1Σ+) molecule using MRCI method in combination with correlation-consistent quintuple basis set augmented with diffuse functions

Deheng Shi, Jinfeng Sun, Zun-lue Zhu, 2009 .

Geometric shielding correction approach for total cross sections of electron scattering by C6H6, C6F6, C6H12, C6H14, C6F14, C8H16, C8H18 and C8F18 at 30–5000 eV

Jinfeng Sun, Zun-lue Zhu, Yufang Liu, 2008 .

Total cross sections of electron scattering by C4H8O, C5H10O2, C6H5F, C6H5Cl, C6F5Cl, C6H4(CHO)F and C4H8O2 at 30-5000 eV

J. Sun, Zun-lue Zhu, Ben-hai Yu, 2008 .

Stereodynamics of the reaction H + LiH (v = 0, j = 0) → H2 + Li and its isotopic variants

Deheng Shi, Jinfeng Sun, Yufang Liu, 2011 .

MRCI investigations on dissociation energy and molecular constants of BCl(X1Σ+) radical

Hui Liu, Deheng Shi, Jinfeng Sun, 2011 .

Accurate theoretical spectroscopic investigations of the 20 Λ-S and 58 Ω states of O2+ cation including the spin–orbit coupling effect

Hui Liu, Deheng Shi, Jinfeng Sun, 2015 .

Multireference configuration interaction study on spectroscopic parameters and molecular constants of PO and PO+

Jiemin Wang, Jinfeng Sun, D. Shi, 2012 .

Excited-State Hydrogen and Dihydrogen Bonding of a Dihydrogen-Bonded Phenol–Borane–Dimethylamine Complex

Deheng Shi, Jinfeng Sun, Yufang Liu, 2011 .

Multireference configuration interaction study of ground and low-lying excited states of the AlC radical

Deheng Shi, Jinfeng Sun, Zun-lue Zhu, 2017 .

Accurate potential energy curves and spectroscopic properties of the 27 Λ-S states and 73 Ω states of the PO radical

Hui Liu, Deheng Shi, Jinfeng Sun, 2017 .

Accurate spectroscopic calculations of the 21 Λ-S states and 42 Ω states of the SiB radical.

Deheng Shi, Zun-lue Zhu, Jinfeng Sun, 2017, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

MRCI study on the spectroscopic parameters and molecular constants of the X1Σ+, a3Σ+, A1Π and C1Σ- electronic states of the SiO molecule.

Wentao Li, Deheng Shi, Jinfeng Sun, 2012, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Investigations of spectroscopic parameters and molecular constants for X1Σg+, w3Δu, and W1Δu electronic states of P2 molecule

Jiemin Wang, Jinfeng Sun, H. Feng, 2012 .

Spectroscopic parameter and molecular constant investigations for low-lying electronic states of P2 molecule

Jiemin Wang, Jin-Feng Sun, D. Shi, 2011 .

Experimental apparatus for simultaneous measurement of temperature and emissivity at medium-high temperature

Yufang Liu, D. Shi, K. Yu, 2011, Proceedings of 2011 International Conference on Electronics and Optoelectronics.

EMISSIVITY MODEL OF STEEL 316L AT 800–1100 K DURING OXIDE LAYER GROWTH ON THE SPECIMEN SURFACE

Zun-lue Zhu, Jinfeng Sun, D. Shi, 2019, Heat Transfer Research.

Emissivity Model of Aluminum 7075 During the Growth of Oxide Layer Over the Temperature Range from 800 to 910 K at a Wavelength of 1.5 μm

Zun-lue Zhu, Jinfeng Sun, D. Shi, 2018, Transactions of the Indian Institute of Metals.

Modeling the Normal Spectral Emissivity of Aluminum 1060 at 800-910 K During the Growth of Oxide Layer

Zun-lue Zhu, Jinfeng Sun, D. Shi, 2015, Journal of Materials Engineering and Performance.

Effect of Surface Oxidization on the Spectral Normal Emissivity of Aluminum 3A21 at the Wavelength of 1.5 $$\upmu $$μm Over the Temperature Range from 800 K to 910 K

Zun-lue Zhu, Jinfeng Sun, D. Shi, 2015 .

Spectral emissivity model of steel 309S during the growth of oxide layer at 800–1100 K

Wenjie Zhu, Zun-lue Zhu, Jinfeng Sun, 2017 .

EXPERIMENTAL DETERMINATION OF EMISSIVITY MODELS OF STEEL 201 AT 800-1100 K DURING OXIDE LAYER GROWTH

Wenjie Zhu, Zun-lue Zhu, Jinfeng Sun, 2018 .

Normal Spectral Emissivity Models of Steel 304 at 800–1100 K with an Oxide Layer on the Specimen Surface

Wenjie Zhu, Zun-lue Zhu, Jinfeng Sun, 2017, Transactions of the Indian Institute of Metals.

A TD‐DFT study on the hydrogen bonding of three esculetin complexes in electronically excited states: Strengthening and weakening

Yu-Fang Liu, Jin-Feng Sun, Da-Peng Yang, 2011, J. Comput. Chem..

MRCI study on potential energy curves, spectroscopic parameters and rovibrational energy levels of CS(X1Σ+) molecule

Hui Liu, Deheng Shi, Jinfeng Sun, 2010 .

Theoretical study on the electronic structures and intramolecular charge transfer of naamine A, naamidine A and naamidine G

Jinfeng Sun, Yufang Liu, Yonggang Yang, 2011 .

Total Cross Sections for Electron Scattering from the Isoelectronic (Z = 14) Molecules (C2H2, CO, HCN and N2) at 100–5000 eV

Zun-lue Zhu, Xiang-dong Yang, Yu-Fang Liu, 2004 .

Spectroscopic parameter and molecular constant investigations on X2Σ+ and A2Πi states of 12C14N, 12C15N, 13C14N and 13C15N species

Hui Liu, Deheng Shi, Jinfeng Sun, 2010 .

Time-dependent density functional theory study on electronically excited States of coumarin 102 chromophore in aniline solvent: reconsideration of the electronic excited-state hydrogen-bonding dynamics.

Jinfeng Sun, Junxia Ding, Deheng Shi, 2008, The journal of physical chemistry. A.

Effect on the Spectral Emissivity of SPHC Steel by Surface Oxidization

Jinfeng Sun, D. Shi, Yawen Pan, 2013 .

Transition probabilities between the X3Π, A3Σ−, B3Σ+, C3Π, D3Δ, and E3Π states of SiC molecules

Jinfeng Sun, D. Shi, W. Xing, 2019, Journal of Quantitative Spectroscopy and Radiative Transfer.

Total cross sections of electron scattering by molecules NF3, PF3, N(CH3)3, P(CH3)3, NH(CH3)2, PH(CH3)2, NH2CH3 and PH2CH3 at 30–5000 eV

J. Sun, Zun-lue Zhu, D. Shi, 2010 .

Total cross sections of electron scattering by several sulfur-containing molecules OCS, SO2, SF4, SF6, SF5CF3, SO2Cl2 and SO2ClF at 30–5000 eV

J. Sun, Zun-lue Zhu, Y. F. Liu, 2009 .

Effect of the surface oxidization and nitridation on the normal spectral emissivity of titanium alloys Ti–6Al–4V at 800–1100 K at a wavelength of 1.5 μm

Wenjie Zhu, Zun-lue Zhu, Jinfeng Sun, 2016 .

Theoretical study of the stereodynamics of the reactions O(1D) + H2, D2 and HD

Deheng Shi, Jinfeng Sun, Yufang Liu, 2009 .

A new experimental apparatus for measurement of spectral emissivity of opaque materials using a reflector as the dummy light source

Hui Liu, Deheng Shi, Jinfeng Sun, 2012 .

Study on Relationships Between the Spectral Emissivity of DC01 Steel and Temperature in an Oxidizing Environment

Zun-lue Zhu, Jinfeng Sun, Baokui Wang, 2014 .