Daoling Peng: search on Z-Library

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1

Two-Component Relativistic Calculations of Electric-Field Gradients Using Exact Decoupling Methods: Spin–orbit and Picture-Change Effects

Autschbach, Jochen, Peng, Daoling, Reiher, Markus

Journal:

Journal of Chemical Theory and Computation

Year:

2012

Language:

english

File:

PDF, 968 KB

english, 2012

2

Exact two-component Hamiltonians revisited

Liu, Wenjian, Peng, Daoling

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 392 KB

english, 2009

3

Demonstration of biophoton-driven DNA replication via gold nanoparticle-distance modulated yield oscillation

Li, Na, Peng, Daoling, Zhang, Xianjing, Shu, Yousheng, Zhang, Feng, Jiang, Lei, Song, Bo

Journal:

Year:

2020

File:

PDF, 2.39 MB

2020

4

A semiempirical long-range corrected exchange correlation functional including a short-range Gaussian attenuation (LCgau-B97)

Jong-Won Song, Daoling Peng, Kimihiko Hirao

Journal:

Journal of Computational Chemistry

Year:

2011

Language:

english

File:

PDF, 428 KB

english, 2011

5

Excited states of : A comprehensive time-dependent relativistic density functional theory study

Wenhua Xu, Jianyi Ma, Daoling Peng, Wenli Zou, Wenjian Liu, Volker Staemmler

Journal:

Chemical Physics

Year:

2009

Language:

english

File:

PDF, 298 KB

english, 2009

6

On the construction of Kramers paired double group symmetry functions

Daoling Peng, Jianyi Ma, Wenjian Liu

Journal:

International Journal of Quantum Chemistry

Year:

2009

Language:

english

File:

PDF, 209 KB

english, 2009

7

The symmetrized random matrix approach, an efficient method to obtain relativistic molecular symmetry adapted functions

Daoling Peng, Kimihiko Hirao

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2011

Language:

english

File:

PDF, 249 KB

english, 2011

8

Exact decoupling of the relativistic Fock operator

Daoling Peng, Markus Reiher

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2012

Language:

english

File:

PDF, 403 KB

english, 2012

9

Time-dependent four-component relativistic density-functional theory for excitation energies. II. The exchange-correlation kernel

Gao, Jun, Zou, Wenli, Liu, Wenjian, Xiao, Yunlong, Peng, Daoling, Song, Bo, Liu, Chengbu

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 887 KB

english, 2005

10

Local relativistic exact decoupling

Peng, Daoling, Reiher, Markus

Journal:

The Journal of Chemical Physics

Year:

2012

Language:

english

File:

PDF, 1.09 MB

english, 2012

11

An efficient implementation of two-component relativistic exact-decoupling methods for large molecules

Peng, Daoling, Middendorf, Nils, Weigend, Florian, Reiher, Markus

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 609 KB

english, 2013

12

Theoretical Study on the Mechanism of Stereoselective Synthesis of Oxazolidinones

Duan, Abing, Peng, Liang, Peng, Daoling, Gu, Feng Long

Journal:

Journal of Organic Chemistry

Year:

2013

Language:

english

File:

PDF, 1.98 MB

english, 2013

13

Processes of H2 adsorption on Fe(110) surface: A density functional theory study

Xie, Weiwei, Peng, Liang, Peng, Daoling, Gu, Feng Long, Liu, Jun

Journal:

Applied Surface Science

Year:

2014

Language:

english

File:

PDF, 1.42 MB

english, 2014

14

Time-dependent quasirelativistic density-functional theory based on the zeroth-order regular approximation

Peng, Daoling, Zou, Wenli, Liu, Wenjian

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 378 KB

english, 2005

15

Four-component relativistic theory for nuclear magnetic shielding constants: The orbital decomposition approach

Xiao, Yunlong, Peng, Daoling, Liu, Wenjian

Journal:

The Journal of Chemical Physics

Year:

2007

Language:

english

File:

PDF, 347 KB

english, 2007

16

Four-component relativistic theory for nuclear magnetic shielding constants: Critical assessments of different approaches

Xiao, Yunlong, Liu, Wenjian, Cheng, Lan, Peng, Daoling

Journal:

The Journal of Chemical Physics

Year:

2007

Language:

english

File:

PDF, 421 KB

english, 2007

17

An arbitrary order Douglas–Kroll method with polynomial cost

Peng, Daoling, Hirao, Kimihiko

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 627 KB

english, 2009

18

Making four- and two-component relativistic density functional methods fully equivalent based on the idea of “from atoms to molecule”

Peng, Daoling, Liu, Wenjian, Xiao, Yunlong, Cheng, Lan

Journal:

The Journal of Chemical Physics

Year:

2007

Language:

english

File:

PDF, 548 KB

english, 2007

19

Infinite-order quasirelativistic density functional method based on the exact matrix quasirelativistic theory

Liu, Wenjian, Peng, Daoling

Journal:

The Journal of Chemical Physics

Year:

2006

Language:

english

File:

PDF, 491 KB

english, 2006

20

Erratum: “Infinite-order quasirelativistic density functional method based on the exact matrix quasirelativistic theory” [J. Chem. Phys. 125, 044102 (2006)]

Liu, Wenjian, Peng, Daoling

Journal:

The Journal of Chemical Physics

Year:

2006

Language:

english

File:

PDF, 37 KB

english, 2006

21

A Time-dependent Coupled-Perturbed Hartree-Fock and Density-Functional-Theory Approach for Calculating Frequency Dependent (Hyper)Polarizabilities with Non-Orthogonal Localized Molecular Orbitals

Peng, Daoling, Li, Shaopeng, Peng, Liang, Gu, Feng Long, Yang, Weitao

Journal:

Journal of Chemical Theory and Computation

Year:

2017

Language:

english

File:

PDF, 639 KB

english, 2017

22

Study on the Mechanism of Platinum(II)-Catalyzed Asymmetric Ring-opening Addition of Oxabicyclic Alkenes with Arylboronic Acids

Lin, Sipeng, Xu, Chao, Peng, Daoling, Peng, Liang, Yang, Dingqiao, Long, Yuhua, Chang, Yu, Gu, Feng Long

Journal:

Physical Chemistry Chemical Physics

Year:

2018

Language:

english

File:

PDF, 2.27 MB

english, 2018

23

Facially Polarized Molecule for Alkalides and Superalkalides with Considerable Nonlinear Optical Response

Li, Bo, Peng, Daoling, Gu, Feng Long, Zhu, Chaoyuan

Journal:

ChemistrySelect

Year:

2018

Language:

english

File:

PDF, 1.85 MB

english, 2018

24

A nonlinear optical switch induced by an external electric field: inorganic alkaline–earth alkalide

Li, Bo, Peng, Daoling, Gu, Feng Long, Zhu, Chaoyuan

Journal:

Year:

2019

Language:

english

File:

PDF, 1.44 MB

english, 2019

25

Androgyny eliminates sex differences in emotional reactivity: ERP and network coupling evidences

Yu, Kang, Liao, YuanYuan, Fu, DaoLing, Chen, ShengDong, Long, QuanShan, Xu, Peng, Yuan, JiaJin

Journal:

Neuroscience Letters

Year:

2020

Language:

english

File:

PDF, 3.13 MB

english, 2020