Xin Chen

发表

Collision-induced alignment of NO+ drifting in argon: Calculated distribution functions and microscopic quadrupole alignment parameters

M. Thachuk, R. Baranowski, Xin Chen, 2002 .

ORBITAL MOMENTUM PROFILES AND BINDING ENERGY SPECTRA FOR THE COMPLETE VALENCE SHELL OF PROPANE

C. E. Brion, E. Davidson, T. Ghanty, 1999 .

Ground and first-excited global potential energy surfaces of the H2O+He complex: Predictions of ion mobilities†

M. Thachuk, Xin Chen, 2005 .

CARNOT: a Fragment-Based Direct Molecular Dynamics and Virtual-Reality Simulation Package for Reactive Systems.

Jiali Gao, Xin Chen, Meiyi Liu, 2022, Journal of chemical theory and computation.

Catalytic hydrogen atom transfer from hydrosilanes to vinylarenes for hydrosilylation and polymerization

K. Nam, Jiali Gao, P. Asgari, 2018, Nature Catalysis.

Diabatic States at Construction (DAC) through Generalized Singular Value Decomposition.

Jiali Gao, Xin Chen, Adam Grofe, 2018, The journal of physical chemistry letters.

A self‐consistent coulomb bath model using density fitting

Xin Chen, Zexing Qu, Bingbing Suo, 2020, J. Comput. Chem..

A Critical Evaluation of Vibrational Stark Effect (VSE) Probes with the Local Vibrational Mode Theory

Yunwen Tao, Xia Chen, Wenli Zou, 2020, Sensors.

Spin-Multiplet Components and Energy Splittings by Multistate Density Functional Theory.

Wenjian Liu, Jiali Gao, Xin Chen, 2017, The journal of physical chemistry letters.

Minimal-active-space multistate density functional theory for excitation energy involving local and charge transfer states

Jiali Gao, Xin Chen, Christian Hettich, 2021, npj Computational Materials.

Fragment Exchange Potential for Realizing Pauli Deformation of Inter-Fragment Interactions.

Jiali Gao, Xin Chen, 2020, The journal of physical chemistry letters.

Combined Multistate and Kohn-Sham Density Functional Theory Studies of the Elusive Mechanism of N-Dealkylation of N,N-Dimethylanilines Mediated by the Biomimetic Nonheme Oxidant FeIV(O)(N4Py)(ClO4)2

Jiali Gao, Zexing Qu, Xin Chen, 2018, Front. Chem..

Dynamic-then-Static Approach for Core Excitations of Open-Shell Molecules.

Wenjian Liu, Jiali Gao, Peng Bao, 2021, The journal of physical chemistry letters.

Machine‐learning assisted scheduling optimization and its application in quantum chemical calculations

Ning Li, B. Suo, Yingjin Ma, 2023, J. Comput. Chem..

The Accuracy of Semi-Empirical Quantum Chemistry Methods on Soot Formation Simulation

Xin Chen, Yu Zhai, Hui Li, 2022, International journal of molecular sciences.

Multi-layer 3D Chirality and Double-Helical Assembly in a Copper Nanocluster with a Triple-Helical Cu15 Core.

Yunwen Tao, Geng‐Geng Luo, Xin Chen, 2023, Angewandte Chemie.