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51

An exact reformulation of the diagonalization step in electronic structure calculations as a set of second order nonlinear equations

Liang, WanZhen, Head-Gordon, Martin

Journal:

The Journal of Chemical Physics

Year:

2004

Language:

english

File:

PDF, 353 KB

english, 2004

52

Identification of the mechanism of enhanced exciton interaction in rigidly linked naphthalene dimers

Song, Jian, Gao, Fang, Shi, Bo, Liang, WanZhen

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.37 MB

english, 2010

53

Absorption spectra and chirality of single-walled 4 Å carbon nanotubes

Liang, WanZhen, Chen, GuanHua, Li, Zhaoming, Tang, Zi-Kang

Journal:

Applied Physics Letters

Year:

2002

Language:

english

File:

PDF, 327 KB

english, 2002

54

Assessment of mode-mixing and Herzberg-Teller effects on two-photon absorption and resonance hyper-Raman spectra from a time-dependent approach

Ma, HuiLi, Zhao, Yi, Liang, WanZhen

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 2.65 MB

english, 2014

55

Quantum Kramers-like theory of the electron-transfer rate from weak-to-strong electronic coupling regions

Zhao, Yi, Liang, WanZhen

Journal:

Physical Review A

Year:

2006

Language:

english

File:

PDF, 170 KB

english, 2006

56

Self-trapping of polarons with off-diagonal coupling

Sun, Jin, Zhao, Yang, Liang, Wanzhen

Journal:

Physical Review B

Year:

2009

Language:

english

File:

PDF, 264 KB

english, 2009

57

Improved Fermi operator expansion methods for fast electronic structure calculations

Liang, WanZhen, Saravanan, Chandra, Shao, Yihan, Baer, Roi, Bell, Alexis T., Head-Gordon, Martin

Journal:

The Journal of Chemical Physics

Year:

2003

Language:

english

File:

PDF, 338 KB

english, 2003

58

Localized-density-matrix method and nonlinear optical response

Liang, WanZhen, Yokojima, Satoshi, Chen, GuanHua

Journal:

The Journal of Chemical Physics

Year:

2000

Language:

english

File:

PDF, 313 KB

english, 2000

59

Biasing a transition state search to locate multiple reaction pathways

Peters, Baron, Liang, WanZhen, Bell, Alexis T., Chakraborty, Arup

Journal:

The Journal of Chemical Physics

Year:

2003

Language:

english

File:

PDF, 819 KB

english, 2003

60

Generalized linear-scaling localized-density-matrix method

Liang, WanZhen, Yokojima, Satoshi, Chen, GuanHua

Journal:

The Journal of Chemical Physics

Year:

1999

Language:

english

File:

PDF, 537 KB

english, 1999

61

Symposium on Temperature, Its Measurement and Control in Science and Industry: Hotel Pennsylvania, New York, New York, November 2, 3 and 4, 1939

Liang, WanZhen, Yokojima, Satoshi, Chen, GuanHua

Journal:

Journal of Applied Physics

Year:

1939

Language:

english

File:

PDF, 451 KB

english, 1939

62

Semiclassical calculation of nonadiabatic thermal rate constants: Application to condensed phase reactions

Zhao, Yi, Li, Xiang, Zheng, Zilong, Liang, WanZhen

Journal:

The Journal of Chemical Physics

Year:

2006

Language:

english

File:

PDF, 353 KB

english, 2006

63

Energy relaxation and separation of a hot electron-hole pair in organic aggregates from a time-dependent wavepacket diffusion method

Han, Lu, Zhong, Xinxin, Liang, WanZhen, Zhao, Yi

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 917 KB

english, 2014

64

Spectroscopic Signature of the Aggregation-Induced Emission Phenomena Caused by Restricted Nonradiative Decay: A Theoretical Proposal

Zhang, Tian, Ma, Huili, Niu, Yingli, Li, Wenqiang, Wang, Dong, Peng, Qian, Shuai, Zhigang, Liang, WanZhen

Journal:

The Journal of Physical Chemistry C

Year:

2015

Language:

english

File:

PDF, 931 KB

english, 2015

65

Generalized time-dependent approaches to vibrationally resolved electronic and Raman spectra: Theory and applications

Liang, Wanzhen, Ma, Huili, Zang, Hang, Ye, Chuanxiang

Journal:

International Journal of Quantum Chemistry

Year:

2015

Language:

english

File:

PDF, 891 KB

english, 2015

66

Correlation between decrease of CRP and resolution of airway inflammatory response, improvement of health status, and clinical outcomes during severe acute exacerbation of chronic obstructive pulmonary disease

Liang, Ying, Chang, Chun, Zhu, Hong, Shen, Ning, He, Bei, Yao, Wanzhen

Journal:

Internal and Emergency Medicine

Year:

2015

Language:

english

File:

PDF, 216 KB

english, 2015

67

Aggregation-Induced Emission Mechanism of Dimethoxy-Tetraphenylethylene in Water Solution: Molecular Dynamics and QM/MM Investigations

Sun, Guangxu, Zhao, Yi, Liang, WanZhen

Journal:

Journal of Chemical Theory and Computation

Year:

2015

Language:

english

File:

PDF, 4.07 MB

english, 2015

68

How does the plasmonic enhancement of molecular absorption depend on the energy gap between molecular excitation and plasmon modes: a mixed TDDFT/FDTD investigation

Sun, Jin, Li, Guang, Liang, WanZhen

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 10.69 MB

english, 2015

69

A computational view of the change in the geometric and electronic properties of perovskites caused by the partial substitution of Pb by Sn

Ju, Ming-Gang, Sun, Guangxu, Zhao, Yi, Liang, WanZhen

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 2.10 MB

english, 2015

70

Effect of Phase Junction Structure on the Photocatalytic Performance in Overall Water Splitting: Ga 2 O 3 Photocatalyst as an Example

Jin, Shaoqing, Wang, Xiang, Wang, Xiuli, Ju, Minggang, Shen, Shuai, Liang, Wanzhen, Zhao, Yi, Feng, Zhaochi, Playford, Helen Y., Walton, Richard I., Li, Can

Journal:

The Journal of Physical Chemistry C

Year:

2015

Language:

english

File:

PDF, 3.72 MB

english, 2015

71

Theoretical studies toward understanding the excited state dynamics of a bichromophoric molecule

Gao, Fang, Zhao, Yi, Liang, WanZhen

Journal:

The Journal of Chemical Physics

Year:

2007

Language:

english

File:

PDF, 952 KB

english, 2007

72

Mechanisms of large Stokes shift and aggregation-enhanced emission of osmapentalyne cations in solution: combined MD simulations and QM/MM calculations

Sun, Guang-Xu, Ju, Ming-Gang, Zang, Hang, Zhao, Yi, Liang, WanZhen

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 2.19 MB

english, 2015

73

Spectral Characteristics of Chemical Enhancement on SERS of Benzene-like Derivatives: Franck–Condon and Herzberg–Teller Contributions

Liu, Liqian, Chen, Danping, Ma, Huili, Liang, WanZhen

Journal:

The Journal of Physical Chemistry C

Year:

2015

Language:

english

File:

PDF, 5.62 MB

english, 2015

74

Structural characteristics and photoinduced carrier behaviors of the mixed-phase BiVO4: a first-principles theoretical study

Zhang, Lei, Ju, Ming-Gang, Liang, WanZhen

Journal:

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

Year:

2016

Language:

english

File:

PDF, 1.69 MB

english, 2016

75

Electronic Structures and Optical Properties of Fullerene and Organic Molecule Nanotube Peapods

Liang, WanZhen, Sun, Jin, Yang, Jinlong

Journal:

Journal of Computational and Theoretical Nanoscience

Year:

2006

Language:

english

File:

PDF, 905 KB

english, 2006

76

Effects of Charge Transfer State and Exciton Migration on Singlet Fission Dynamics in Organic Aggregates

Zang, Hang, Ke, Yaling, Zhao, Yi, Liang, WanZhen

Journal:

The Journal of Physical Chemistry C

Year:

2016

Language:

english

File:

PDF, 2.76 MB

english, 2016

77

Moisture Effect on the Structures and Properties of Lead Halide Perovskites: A First-principles Theoretical Investigation

Zhang, Lei, Ju, Ming-Gang, Liang, WanZhen

Journal:

Physical Chemistry Chemical Physics

Year:

2016

Language:

english

File:

PDF, 1.30 MB

english, 2016

78

Characterizing the Structures, Spectra and Energy Landscapes Involved in Excited-state Proton Transfer Process of Red Fluorescent Protein LSSmKate1

Chen, Fasheng, Zeng, Qiao, Zhuang, Wei, Liang, WanZhen

Journal:

Journal of Physical Chemistry B

Year:

2016

Language:

english

File:

PDF, 2.31 MB

english, 2016

79

Electronic excitation and injection of Ru-N3 dye anchored to TiO2 surface

Wang, Zhiang, Ju, Ming-Gang, Liang, WanZhen

Journal:

Computational and Theoretical Chemistry

Year:

2016

Language:

english

File:

PDF, 2.37 MB

english, 2016

80

miR-124 suppresses glioblastoma growth and potentiates chemosensitivity by inhibiting AURKA

Qiao, Wanchen, Guo, Beisong, Zhou, Haichun, Xu, Wanzhen, Chen, Yongjie, Liang, Yanchao, Dong, Baijing

Journal:

Biochemical and Biophysical Research Communications

Year:

2017

Language:

english

File:

PDF, 2.25 MB

english, 2017

81

How the Structures and Properties of Two-Dimensional Layered Perovskites MAPbI 3 and CsPbI 3 Vary with the Number of Layers

Zhang, Lei, Liang, WanZhen

Journal:

The Journal of Physical Chemistry Letters

Year:

2017

Language:

english

File:

PDF, 474 KB

english, 2017

82

Resonance Raman spectra of organic molecules absorbed on inorganic semiconducting surfaces: Contribution from both localized intramolecular excitation and intermolecular charge transfer excitation

Ye, ChuanXiang, Zhao, Yi, Liang, WanZhen

Journal:

The Journal of Chemical Physics

Year:

2015

Language:

english

File:

PDF, 1.43 MB

english, 2015

83

Association Between Twelve Polymorphisms in Five X-ray Repair Cross-complementing Genes and the Risk of Urological Neoplasms: A Systematic Review and Meta-Analysis

Zhang, Meng, Li, Wanzhen, Hao, Zongyao, Zhou, Jun, Zhang, Li, Liang, Chaozhao

Journal:

Year:

2017

Language:

english

File:

PDF, 1.12 MB

english, 2017

84

Analytic energy gradient of excited electronic state within TDDFT/MMpol framework: Benchmark tests and parallel implementation

Zeng, Qiao, Liang, WanZhen

Journal:

The Journal of Chemical Physics

Year:

2015

Language:

english

File:

PDF, 5.16 MB

english, 2015

85

Benchmarking calculations of spectral densities for the diagonal and nondiagonal exciton-phonon coupling of tetracene crystal

Zhang, Jin, Zhu, Chaoyuan, Liang, WanZhen

Journal:

Chemical Physics Letters

Year:

2017

Language:

english

File:

PDF, 839 KB

english, 2017

86

NB-Type Electronic Asymmetric Compounds as Potential Blue-Color TADF Emitters: Steric Hindrance, Substitution Effect, and Electronic Characteristics

Tu, Chunyun, Liang, WanZhen

Journal:

Year:

2017

Language:

english

File:

PDF, 2.41 MB

english, 2017

87

Localized-density-matrix method and its application to nanomaterials

Chen, GuanHua, Yokojima, Satoshi, Liang, WanZhen, Wang, XiuJun

Journal:

Pure & Applied Chemistry

Year:

2000

Language:

english

File:

PDF, 114 KB

english, 2000

88

Theoretical studies on the switching behavior of dithienylethene-containing platinum(II) complexes

Zhang, Lisheng, Li, Huifang, Liu, Qingyun, Ye, Min, Zheng, Lvyin, Fan, Xiaolin, Liang, Wanzhen

Journal:

Journal of Organometallic Chemistry

Year:

2017

Language:

english

File:

PDF, 1.08 MB

english, 2017

89

Quantum Interference in Singlet Fission: J- and H-Aggregate Behavior

Zang, Hang, Zhao, Yi, Liang, WanZhen

Journal:

The Journal of Physical Chemistry Letters

Year:

2017

Language:

english

File:

PDF, 1.51 MB

english, 2017

90

Charge Carrier Mobilities and Singlet Fission Dynamics in Thienoquinoidal Compounds

Zhu, Zhiye, Zang, Hang, Zhao, Yi, Liang, WanZhen

Journal:

The Journal of Physical Chemistry C

Year:

2017

Language:

english

File:

PDF, 1.60 MB

english, 2017

91

One- and two-photon absorption spectra of the yellow fluorescent protein citrine: effects of intramolecular electron-vibrational coupling and intermolecular interactions

Chen, Fasheng, Zhao, Xinyi, Liang, WanZhen

Journal:

Molecular Physics

Year:

2018

Language:

english

File:

PDF, 1.60 MB

english, 2018

92

Benzazasiline combined with triphenylborane-based cores for constructing deep-blue donor-acceptor-donor TADF emitters

Tu, Chunyun, Liang, WanZhen

Journal:

Organic Electronics

Year:

2018

Language:

english

File:

PDF, 699 KB

english, 2018

93

Size-Dependent Optical Properties of Aluminum Nanoparticles: From Classical to Quantum Description

Zhang, Pengcheng, Jin, Wenjin, Liang, WanZhen

Journal:

The Journal of Physical Chemistry C

Year:

2018

Language:

english

File:

PDF, 1.51 MB

english, 2018

94

Atomically Thin p-n/p-n Nanodevices by Surface Charge Transfer Doping of Arsenene/Antimonene Heterostructures

Zhang, Lei, Liang, WanZhen

Journal:

ACS Applied Materials & Interfaces

Year:

2018

Language:

english

File:

PDF, 1.17 MB

english, 2018

95

TRAF3 enhances STING-mediated antiviral signaling during the innate immune activation of black carp

Wang, Xu, Song, Xuejiao, Xie, Xinchi, Li, Wanzhen, Lu, Liang, Chen, Song, Wu, Hui, Feng, Hao

Journal:

Developmental & Comparative Immunology

Year:

2018

Language:

english

File:

PDF, 2.39 MB

english, 2018

96

PR-957, a selective immunoproteasome inhibitor, reactivates latent HIV-1 through p-TEFb activation mediated by HSF-1

Lin, Jian, Zhang, Xuanxuan, Lu, Wanzhen, Xu, Xinfeng, Pan, Xiaoyan, Liang, Taizhen, Duan, Siqin, Chen, Yi, Li, Lin, Liu, Shuwen

Journal:

Biochemical Pharmacology

Year:

2018

Language:

english

File:

PDF, 1.21 MB

english, 2018

97

Love-pursuing patterns and personality traits: A preliminary study in Chinese university undergraduate students

CAI, Fangfang, HE, Wei, XU, Peiwei, LIANG, Weiwei, CHAI, Hao, WU, Hao, YU, Wenjun, CHEN, Wanzhen, CHEN, Wei, WANG, Wei

Journal:

Interpersona An International Journal on Personal Relationships

Year:

2009

Language:

english

File:

PDF, 186 KB

english, 2009

98

Singlet/triplet exciton dissociation and charge recombination in donor‐acceptor ThQs‐C 60 /PDIxCN 2 complexes

Zhu, ZhiYe, Zhao, Yi, Liang, WanZhen

Journal:

Journal of Computational Chemistry

Year:

2018

Language:

english

File:

PDF, 1.03 MB

english, 2018

99

Lead-Free Low-Dimensional Tin Halide Perovskites with Functional Organic Spacers: Breaking the Charge-Transport Bottleneck

Ju, Ming-Gang, Dai, Jun, Ma, Liang, Zhou, Yuanyuan, Liang, WanZhen, Zeng, Xiao Cheng

Journal:

Journal of Materials Chemistry A

Year:

2019

Language:

english

File:

PDF, 842 KB

english, 2019

100

Single-handed supramolecular double helix of homochiral bis(N-amidothiourea) supported by double crossed C−I···S halogen bonds

Yan, Xiaosheng, Zou, Kunshan, Cao, Jinlian, Li, Xiaorui, Zhao, Zhixing, Li, Zhao, Wu, Anan, Liang, Wanzhen, Mo, Yirong, Jiang, Yunbao

Journal:

Nature Communications

Year:

2019

Language:

english

File:

PDF, 1.86 MB

english, 2019

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