Joseph E. Subotnik - Publications, H-index & Citations

Marcus Theory and the Condon Approximation Revisited I: E-SHAKE and Seam Sampling

IF5.5

2026-02-09

PREAI

Jennifer R. DeRosa; Tian Qiu; D. Vale Cofer-Shabica; Joseph E. Subotnik

Protein and Solvent Reorganization Drives Radical Pair Stability in Avian Cryptochrome 4a 蛋白质和溶剂重组驱动鸟类隐花色素4a中的自由基对稳定性

IF5.5

2026-02-03

PREAI

D. Vale Cofer-Shabica; Jennifer R. DeRosa; Joseph E. Subotnik

Journal of the American Chemical Society

IF15.6

2025-11-14

OAAI

Jiate Luo; Jonathan Hungerland; Ilia A. Solov’yov; Joseph E. Subotnik; Sharon Hammes-Schiffer

Recovering Exact Vibrational Energies within a Phase Space Electronic Structure Framework 在相空间电子结构框架内恢复精确的振动能量

Correction to “A Phase-Space View of Vibrational Energies without the Born–Oppenheimer Framework”对“一种无需玻恩–奥本海默框架的振动能级相空间观点”的修正

IF5.5

2025-09-26

PREAI

Xinchun Wu; Xuezhi Bian; Jonathan Rawlinson; Robert G. Littlejohn; Joseph E. Subotnik

A Phase-Space Electronic Hamiltonian for Molecules in a Static Magnetic Field. I: Conservation of Total Pseudomomentum and Angular Momentum 静态磁场中分子的相空间电子哈密顿量。I：总赝动量和角动量的守恒

IF5.5

2025-07-31

PREAI

Xuezhi Bian; Cameron Khan; Titouan Duston; Jonathan Rawlinson; Robert G. Littlejohn; Joseph E. Subotnik

JOURNAL OF PHYSICAL CHEMISTRY A

IF2.8

2025-05-12

PREAI

Bhati, Mansi; Tao, Zhen; Bian, Xuezhi; Rawlinson, Jonathan; Littlejohn, Robert; Subotnik, Joseph E.

A basis-free phase space electronic Hamiltonian that recovers beyond Born-Oppenheimer electronic momentum and current density 一个无需基底的相空间电子哈密顿量，可恢复超越玻恩-奥本海默电子动量和电流密度

A Phase-Space View of Vibrational Energies without the Born-Oppenheimer Framework

IF3.1

2025-04-14

PREAI

Tao, Zhen; Qiu, Tian; Bian, Xuezhi; Duston, Titouan; Bradbury, Nadine; Subotnik, Joseph E.

Unveiling the Dance of Molecules: Rovibrational Dynamics of Molecules under Intense Illumination at Complex Plasmonic Interfaces

IF5.5

2025-03-01

OAAI

Bian, Xuezhi; Khan, Cameron; Duston, Titouan; Rawlinson, Jonathan; Littlejohn, Robert G.; Subotnik, Joseph E.

Revisiting the Discrepancy between Experimental and Theoretical Predictions of the Adiabaticity of Ti+ + CH3OH 重新审视实验与理论预测的Ti+ + CH3OH绝热性之间的差异

IF5.5

2025-02-18

PREAI

Sukharev, Maxim; Subotnik, Joseph E.; Nitzan, Abraham

JOURNAL OF PHYSICAL CHEMISTRY A

IF2.8

2025-01-06

PREAI

Derosa, Jennifer R.; Subotnik, Joseph E.; Shao, Yihan; Shuman, Nicholas S.; Ard, Shaun G.; Viggiano, Albert A.; Cofer-Shabica, D. Vale

A semiclassical non-adiabatic phase-space approach to molecular translations and rotations: Surface hopping with electronic inertial effects

An electronic phase-space Hamiltonian approach for electronic current density and vibrational circular dichroism

IF3.1

2024-12-20

PREAI

Bian, Xuezhi; Wu, Yanze; Qiu, Tian; Tao, Zhen; Subotnik, Joseph E.

An Efficient Algorithm for Constrained CASSCF(1,2) and CASSCF(3,2) Simulations as Relevant to Electron and Hole Transfer Problems

IF3.1

2024-11-26

PREAI

Tao, Zhen; Duston, Titouan; Pei, Zheng; Shao, Yihan; Rawlinson, Jonathan; Littlejohn, Robert; Subotnik, Joseph E.

A Phase-Space Electronic Hamiltonian For Vibrational Circular Dichroism

IF5.5

2024-10-07

PREAI

Qiu, Tian; Subotnik, Joseph E.

Angular Momentum Transfer between a Molecular System and a Continuous Circularly Polarized Light Field within a Semiclassical Born-Oppenheimer Surface Hopping Framework

IF5.5

2024-09-03

PREAI

Duston, Titouan; Tao, Zhen; Bian, Xuezhi; Bhati, Mansi; Rawlinson, Jonathan; Littlejohn, Robert G.; Pei, Zheng; Shao, Yihan; Subotnik, Joseph E.

A fast and smooth one-electron approach for investigating charge transfer states and D1-D0 crossings for systems with odd numbers of electrons

IF5.5

2024-07-25

PREAI

Bian, Xuezhi; Subotnik, Joseph E.

A simple one-electron expression for electron rotational factors

IF3.1

2024-06-04

PREAI

Qiu, Tian; Bian, Xuezhi; Tao, Zhen; Subotnik, Joseph E.