Lingling Lv

发表

Theoretical Study on the Two-State Reaction Mechanism for the Formation of a Pyridin-2-one Cobalt Complex from Cobaltacyclopentadiene and Isocyanate

Xiaofang Wang, Yongcheng Wang, Yuancheng Zhu, 2013 .

Theoretical study of the reactivity of X(3P) (X=Ge, Sn, Pb) with N2O(X1Σ)

Yongcheng Wang, Zhiyuan Geng, Lingling Lv, 2005 .

Theoretical study of the mechanism for C-H bond activation in spin-forbidden reaction between Ti+ and C2H4

Xiaofang Wang, Yongcheng Wang, Xin-Wen Liu, 2009 .

A theoretician’s view of the Ce+ mediated activation of the NH bond in ammonia

Qian Wang, Q. Wang, Mao-Ji La, 2011 .

Theoretical study of the reactions of lanthanide ions (Ce+, Pr+) with CO2 in the gas phase

Q. Wang, Yongcheng Wang, Qingyun Wang, 2011 .

Corannulene–fullerene C70 noncovalent interactions and their effect on the behavior of charge transport and optical property

Yuancheng Zhu, K. Yuan, Lingling Lv, 2017 .

Intersystem crossing mechanism of thermally activated delayed fluorescence copper(I) thiolate complex: The roles of exchange coupling and magnetic spin interactions

Yongcheng Wang, K. Yuan, Lingling Lv, 2018 .

Basic photophysical analysis of a thermally activated delayed fluorescence copper(i) complex in the solid state: theoretical estimations from a polarizable continuum model (PCM)-tuned range-separated density functional approach.

Yongcheng Wang, K. Yuan, Lingling Lv, 2018, Physical chemistry chemical physics : PCCP.

Thermally activated delayed fluorescence processes for Cu(i) complexes in solid-state: a computational study using quantitative prediction

Kui Liu, Yongcheng Wang, Yuancheng Zhu, 2018, RSC advances.

Electronic coupling and spin-orbit charge transfer intersystem crossing (SOCT-ISC) in compact BDP-carbazole dyads with different mutual orientations of the electron donor and acceptor.

M. Fedin, Jianzhang Zhao, A. Karatay, 2020, The Journal of chemical physics.

Mechanism study of TADF and phosphorescence in dinuclear copper (I) molecular crystal using QM/MM combined with an optimally tuned range-separated hybrid functional

Yongcheng Wang, K. Yuan, Guofang Zuo, 2020 .

π-Lithium Noncovalent Interaction between π-Bond-Containing Compounds and NH2Li: A way of Construction for Supramolecular Materials

K. Yuan, Lingling Lv, 2015 .

Organic Light Emitting Properties of the Functional Pyridine-Containing Diacylhydrazones

Yuancheng Zhu, K. Yuan, Lingling Lv, 2015 .

Designation and Exploration of Halide-Anion Recognition Based on Cooperative Noncovalent Interactions Including Hydrogen Bonds and Anion-π.

Yuancheng Zhu, K. Yuan, Lingling Lv, 2015, The journal of physical chemistry. A.

Theoretical investigation on the reaction of N2O and CO catalyzed by PtO

Yongcheng Wang, Lingling Lv, Liguo Gao, 2011 .

Theoretical Studies on the Photophysical Properties of the Ag(I) Complex for Thermally Activated Delayed Fluorescence Based on TD-DFT and Path Integral Dynamic Approaches

Yongcheng Wang, Lingling Lv, Huixue Li, 2022, ACS omega.

Fluorine substitution effects of halide anion receptors based on the combination of a distinct hydrogen bond and anion–π noncovalent interactions: a theoretical investigation

Yuancheng Zhu, K. Yuan, Lingling Lv, 2016 .

Substituent Group Effete on the Geometric Configurations of the Acyclic Ruthenium Bipyridine Imidazole-Cyanide Anion Recognition Systems

Yuancheng Zhu, Lingling Lv, S. Li, 2015 .

Intrinsic Analysis of Thermally Activated Delayed Fluorescence (TADF) for Ag(I) Complex Based on the Path Integral Approach: Origin of the Effective Spin-Flipping Channel and Vibrational Spin-Orbit Coupling Effect.

Guoliang Dai, K. Yuan, Lingling Lv, 2022, The journal of physical chemistry. A.

Theoretical study of spin-orbit coupling and intersystem crossing in the two-state reaction between Nb(NH2)3 and N2O

Xiaofang Wang, Yongcheng Wang, Yuancheng Zhu, 2012, Science China Chemistry.

Imidazole-Dependent Assembly of Copper Polymolybdate Frameworks for One-Pot Sulfide Oxidation and C–H Activation

Haitao Wang, Lingling Lv, Xianqiang Huang, 2022, Energy & Fuels.

Theoretical survey of the photochemical deracemization mechanism of chiral allene 3-(3,3-dimethyl-1-buten-1-ylidene)-2-piperidinone

K. Yuan, Lingling Lv, Huixue Li, 2020 .

A theoretical insight into several common anion recognitions based on double‐dentate hydrogen bond and anion‐π coexistence

K. Yuan, Lingling Lv, Zhi-feng Li, 2019, Journal of Physical Organic Chemistry.

On the catalytic mechanism of Pt4+/− in the oxygen transport activation of N2O by CO

Yongcheng Wang, Yan-zi Jin, Lingling Lv, 2011 .

Theoretical study of spin–orbit coupling and kinetics in spin-forbidden reaction between Ta(NH2)3 and N2O

Lingling Lv, Yong Wang, Qiang Wang, 2010 .

Theoretical study of the activation of CH 4 n F n ( n = 13) molecules by platinum in the gas-phas

Yongcheng Wang, Lingling Lv, Hui-Wen Liu, 2010 .

A theoretical study of the reaction of La+ with N2O in the gas phase

Yongcheng Wang, Lingling Lv, Hui-Wen Liu, 2010 .

Why is Pt4+ the Least Efficient Cationic Cluster in Activating the C−H Bond in Methane? Two-State Reaction Computational Investigation

Yongcheng Wang, Lingling Lv, Hui-Wen Liu, 2010 .

Investigation of Conversion and Decay Processes in Thermally Activated Delayed Fluorescence Copper(I) Molecular Crystal: Theoretical Estimations from an ONIOM Approach Combined with the Tuned Range-Separated Density Functional Theory.

Yongcheng Wang, Yuancheng Zhu, K. Yuan, 2019, The journal of physical chemistry. A.

Theoretical studying of basic photophysical processes in a thermally activated delayed fluorescence copper(I) complex: Determination of reverse intersystem crossing and radiative rate constants

Yongcheng Wang, K. Yuan, Lingling Lv, 2017 .

Fluorescent Mechanism of a Highly Selective Probe for Copper(II) Detection: A Theoretical Study

Lingling Lv, Huixue Li, Kui Liu, 2023, ACS omega.

Activation of C2H6 by Gas-Phase Ta+: Potential Energy Surfaces, Spin−Orbit Coupling, Spin-Inversion Probabilities, and Reaction Mechanisms

Yongcheng Wang, Yu-Bing Si, Lingling Lv, 2009 .

The luminescent and reaction mechanisms of a fluorescent probe for the detection of hypochlorous acid: Insights from theory.

Lingling Lv, Sujuan Pan, Huixue Li, 2023, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

A new mechanistic study of a second generation TADF material based on the path integral approach incorporating Herzberg–Teller and Duschinsky rotation effects

Yongcheng Wang, K. Yuan, Lingling Lv, 2020 .

Comparative Studies for the PAMAM/RE and HPAE/RE (RE=La, Nd, and Eu) Based on Molecular Dynamics Simulations

Yuancheng Zhu, Lingling Lv, S. Li, 2015 .

Understanding H-aggregates crystallization induced emissive behavior: insights from theory

Lingling Lv, Sujuan Pan, Huixue Li, 2023, Scientific reports.

Theoretical study of deactivation and isomerization pathways of 1,2-dithiete in excited electronic states

Xiaofang Wang, Yongcheng Wang, Xin-Wen Liu, 2009 .

Insights from QM/MM-ONIOM calculations: the TADF phenomenon of phenanthro[9,10-d]imidazole-anthraquinone in the solid state.

Xiao‐Feng Wang, K. Yuan, Lingling Lv, 2021, Physical Chemistry, Chemical Physics - PCCP.

Theoretical Study on the GeH4•••Y (Y=He, Ne, Ar and Kr) Systems

Yuan Cheng Zhu, Ling Ling Lv, Kun Yuan, 2012 .