Yunjie Xu

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 42

Top Topics

Molecular Dynamics Simulations

Raman Spectroscopy

Transition Metal

Top Venues

Physical chemistry chemical physics : PCCP

Molecules (Basel, Switzerland)

Chemphyschem : a European journal of chemical physics and physical chemistry

Angewandte Chemie (International ed. in English)

This page only lists publications with an associated author ORCID identifier.

Publications

Colton D Carlson, Jiarui Ma, Mohamad H Al-Jabiri, Aran Insausti, Yunjie Xu
Conformational adaptation and large amplitude motions of 1-phenyl-2,2,2-trifluoroethanol with two water molecules: a rotational spectroscopic and ab initio investigation. Physical chemistry chemical physics : PCCP (2024)
Jiao Gao, Colton D Carlson, Javix Thomas, Yunjie Xu, Wolfgang Jäger
Rotational Spectroscopy of the Acetone-Water Complex: Large Amplitude Motions. Chemphyschem : a European journal of chemical physics and physical chemistry (2024)
Colton D Carlson, Jiarui Ma, Mohamad H Al-Jabiri, Aran Insausti, Yunjie Xu
Conformational adaptation and large amplitude motions of 1-phenyl-2,2,2-trifluoroethanol with two water molecules: a rotational spectroscopic and ab initio investigation. Physical chemistry chemical physics : PCCP 26 (26) (2024)
Colton D Carlson, Jiarui Ma, Mohamad H Al-Jabiri, Aran Insausti, Yunjie Xu
Conformational adaptation and large amplitude motions of 1-phenyl-2,2,2-trifluoroethanol with two water molecules: a rotational spectroscopic and ab initio investigation. Physical chemistry chemical physics : PCCP 26 (26) (2024)
Tao Lu, Fan Xie, Nathan A Seifert, Reihaneh Hamidi Mejlej, Wolfgang Jäger, Yunjie Xu
Binary conformers of a flexible, long-chain fluoroalcohol: dispersion controlled selectivity and relative abundances in a jet. Physical chemistry chemical physics : PCCP 26 (14) (2024)
Tao Lu, Fan Xie, Nathan A Seifert, Reihaneh Hamidi Mejlej, Wolfgang Jäger, Yunjie Xu
Binary conformers of a flexible, long-chain fluoroalcohol: dispersion controlled selectivity and relative abundances in a jet. Physical chemistry chemical physics : PCCP 26 (14) (2024)
Tao Lu, Fan Xie, Nathan A Seifert, Reihaneh Hamidi Mejlej, Wolfgang Jäger, Yunjie Xu
Binary conformers of a flexible, long-chain fluoroalcohol: dispersion controlled selectivity and relative abundances in a jet. Physical chemistry chemical physics : PCCP (2024)
Guojie Li, Dan Li, Mutasem Alshalalfeh, Joseph Cheramy, Hui Zhang, Yunjie Xu
Stereochemical Properties of Two Schiff-Base Transition Metal Complexes and Their Ligand by Using Multiple Chiroptical Spectroscopic Tools and DFT Calculations. Molecules (Basel, Switzerland) 28 (6) (2023)
Yanqing Yang, Anna Krin, Xiaoli Cai, Mohammad Reza Poopari, Yuefei Zhang, James R Cheeseman, Yunjie Xu
Conformations of Steroid Hormones: Infrared and Vibrational Circular Dichroism Spectroscopy. Molecules (Basel, Switzerland) 28 (2) (2023)
Mutasem Alshalalfeh, Ningjie Sun, Amanda Hanashiro Moraes, Alexandra Paola Aponte Utani, Yunjie Xu
Conformational Distributions of Phenyl β-D-Glucopyranoside and Gastrodin in Solution by Vibrational Optical Activity and Theoretical Calculations. Molecules (Basel, Switzerland) 28 (10) (2023)
Yanqing Yang, Anna Krin, Xiaoli Cai, Mohammad Reza Poopari, Yuefei Zhang, James R Cheeseman, Yunjie Xu
Conformations of Steroid Hormones: Infrared and Vibrational Circular Dichroism Spectroscopy. Molecules (Basel, Switzerland) 28 (2) (2023)
Angelo Shehan Perera, Colton D Carlson, Joseph Cheramy, Yunjie Xu
Infrared and vibrational circular dichroism spectra of methyl β-D-glucopyranose in water: The application of the quantum cluster growth and clusters-in-a-liquid solvation models. Chirality (2023)
Yanqing Yang, Anna Krin, Xiaoli Cai, Mohammad Reza Poopari, Yuefei Zhang, James R Cheeseman, Yunjie Xu
Conformations of Steroid Hormones: Infrared and Vibrational Circular Dichroism Spectroscopy. Molecules (Basel, Switzerland) 28 (2) (2023)
Guojie Li, Dan Li, Mutasem Alshalalfeh, Joseph Cheramy, Hui Zhang, Yunjie Xu
Stereochemical Properties of Two Schiff-Base Transition Metal Complexes and Their Ligand by Using Multiple Chiroptical Spectroscopic Tools and DFT Calculations. Molecules (Basel, Switzerland) 28 (6) (2023)
Yanqing Yang, Anna Krin, Xiaoli Cai, Mohammad Reza Poopari, Yuefei Zhang, James R Cheeseman, Yunjie Xu
Conformations of Steroid Hormones: Infrared and Vibrational Circular Dichroism Spectroscopy. Molecules (Basel, Switzerland) 28 (2) (2023)
Alex N Mort, Fan Xie, Arsh S Hazrah, Yunjie Xu
Rotational spectroscopy of hydrogen-bonded binary trifluoro-propanol conformers: conformational diversity, preference and abundances in a jet expansion. Physical chemistry chemical physics : PCCP (2023)
Guojie Li, Dan Li, Mutasem Alshalalfeh, Joseph Cheramy, Hui Zhang, Yunjie Xu
Stereochemical Properties of Two Schiff-Base Transition Metal Complexes and Their Ligand by Using Multiple Chiroptical Spectroscopic Tools and DFT Calculations. Molecules (Basel, Switzerland) 28 (6) (2023)
Aran Insausti, Jiarui Ma, Qian Yang, Fan Xie, Yunjie Xu
Rotational Spectroscopy of 2-Furoic Acid and Its Dimer: Conformational Distribution and Double Proton Tunneling. Chemphyschem : a European journal of chemical physics and physical chemistry 23 (12) (2022)
Bowei Wu, Nathan A Seifert, Sönke Oswald, Wolfgang Jäger, Yunjie Xu
Rotational Spectroscopy of the 2,2,3,3,3-Pentafluoropropanol⋅⋅⋅Water Complex: Conformations and Large Amplitude Motions. Chemphyschem : a European journal of chemical physics and physical chemistry 23 (20) (2022)
Yanqing Yang, Joseph Cheramy, Martin Brehm, Yunjie Xu
Raman Optical Activity of N-Acetyl-L-Cysteine in Water and in Methanol: The "Clusters-in-a-Liquid" Model and ab Initio Molecular Dynamics Simulations. Chemphyschem : a European journal of chemical physics and physical chemistry 23 (11) (2022)
Mark D Marshall, Helen O Leung, Sérgio R Domingos, Anna Krin, Melanie Schnell, Nathan A Seifert, Yunjie Xu, Wolfgang Jäger
Examining the gas-phase homodimers of 3,3,3-trifluoro-1,2-epoxypropane using quantum chemistry and microwave spectroscopy. Physical chemistry chemical physics : PCCP 24 (46) (2022)
Colton D Carlson, Arsh S Hazrah, Daniel Mason, Qian Yang, Nathan A Seifert, Yunjie Xu
Alternating 1-Phenyl-2,2,2-Trifluoroethanol Conformational Landscape With the Addition of One Water: Conformations and Large Amplitude Motions. The journal of physical chemistry. A 126 (40) (2022)
Yanqing Yang, Xiaoyu Sun, Mohammad Reza Poopari, Cuiying Jian, Hongbo Zeng, Tian Tang, Yunjie Xu
Chirality Discrimination at Binary Organic|Water Interfaces Monitored by Interfacial Tension Measurements with Preliminary Comparison with Molecular Dynamics Simulations. Chemphyschem : a European journal of chemical physics and physical chemistry (2022)
Guojie Li, Mutasem Alshalalfeh, Josef Kapitán, Petr Bouř, Yunjie Xu
Electronic Circular Dichroism-Circularly Polarized Raman (eCP-Raman): A New Form of Chiral Raman Spectroscopy. Chemistry (Weinheim an der Bergstrasse, Germany) 28 (20) (2022)
Qian Yang, Colton D Carlson, Wolfgang Jäger, Yunjie Xu
Conformational Landscape of the Hydrogen-Bonded 1-Phenyl-2,2,2-Trilfuoroethanol···1,4-Dioxane Complex: Dispersion Interactions and Conformational Conversion. The journal of physical chemistry. A 126 (19) (2022)
Bowei Wu, Nathan A Seifert, Aran Insausti, Jiarui Ma, Sönke Oswald, Wolfgang Jäger, Yunjie Xu
2,2,3,3,3-Pentafluoro-1-propanol and its dimer: structural diversity, conformational conversion, and tunnelling motion. Physical chemistry chemical physics : PCCP 24 (24) (2022)
Haolu Wang, Matthias Heger, Mohamad H Al-Jabiri, Yunjie Xu
Vibrational Spectroscopy of Homo- and Heterochiral Amino Acid Dimers: Conformational Landscapes. Molecules (Basel, Switzerland) 27 (1) (2021)
Guojie Li, Mutasem Alshalalfeh, Yanqing Yang, James R Cheeseman, Petr Bouř, Yunjie Xu
Can One Measure Resonance Raman Optical Activity? Angewandte Chemie (International ed. in English) 60 (40) (2021)
Fan Xie, Sethupathy Mahendiran, Nathan A Seifert, Yunjie Xu
Modifying conformational distribution of chiral tetrahydro-2-furoic acid through its interaction with water: a rotational spectroscopic and theoretical investigation. Physical chemistry chemical physics : PCCP 23 (6) (2021)
Yanqing Yang, Joseph Cheramy, Yunjie Xu
Matrix Isolation-Vibrational Circular Dichroism Spectroscopic Study of Conformations and Non-Covalent Interactions of Tetrahydro-2-Furoic Acid. Chemphyschem : a European journal of chemical physics and physical chemistry 22 (13) (2021)
Bowei Wu, Arsh S Hazrah, Nathan A Seifert, Sönke Oswald, Wolfgang Jäger, Yunjie Xu
Higher-Energy Hexafluoroisopropanol···Water Isomer and Its Large Amplitude Motions: Rotational Spectra and DFT Calculations. The journal of physical chemistry. A 125 (48) (2021)
Bowei Wu, Nathan A Seifert, Sönke Oswald, Wolfgang Jäger, Yunjie Xu
Rotational Spectrum and Molecular Structures of the Binary Aggregates of 1,1,1,3,3,3-Hexafluoro-2-propanol with Ne and Ar. The journal of physical chemistry. A 125 (24) (2021)
Fan Xie, Nathan A Seifert, Arsh S Hazrah, Wolfgang Jäger, Yunjie Xu
Conformational Landscape, Chirality Recognition and Chiral Analyses: Rotational Spectroscopy of Tetrahydro-2-Furoic Acid⋅⋅⋅Propylene Oxide Conformers. Chemphyschem : a European journal of chemical physics and physical chemistry 22 (5) (2021)
Tao Wu, Guojie Li, Josef Kapitán, Jiři Kessler, Yunjie Xu, Petr Bouř
Two Spectroscopies in One: Interference of Circular Dichroism and Raman Optical Activity. Angewandte Chemie (International ed. in English) 59 (49) (2020)
Fan Xie, Nathan A Seifert, Wolfgang Jäger, Yunjie Xu
Conformational Panorama and Chirality Controlled Structure-Energy Relationship in a Chiral Carboxylic Acid Dimer. Angewandte Chemie (International ed. in English) 59 (36) (2020)
Fan Xie, Marco Fusè, Arsh S Hazrah, Wolfgang Jäger, Vincenzo Barone, Yunjie Xu
Discovering the Elusive Global Minimum in a Ternary Chiral Cluster: Rotational Spectra of Propylene Oxide Trimer. Angewandte Chemie (International ed. in English) 59 (50) (2020)
Alberto Macario, Susana Blanco, Javix Thomas, Yunjie Xu, Juan Carlos López
Conformational Landscape of m-Anisic Acid and Its Complexes with Formic Acid. The journal of physical chemistry. A 123 (31) (2019)
Guojie Li, Jiři Kessler, Joseph Cheramy, Tao Wu, Mohammad Reza Poopari, Petr Bouř, Yunjie Xu
Transfer and Amplification of Chirality Within the "Ring of Fire" Observed in Resonance Raman Optical Activity Experiments. Angewandte Chemie (International ed. in English) 58 (46) (2019)
Sönke Oswald, Nathan A Seifert, Fabian Bohle, Maxim Gawrilow, Stefan Grimme, Wolfgang Jäger, Yunjie Xu, Martin A Suhm
The Chiral Trimer and a Metastable Chiral Dimer of Achiral Hexafluoroisopropanol: A Multi-Messenger Study. Angewandte Chemie (International ed. in English) 58 (15) (2019)
Javix Thomas, Eric Mariona, Yunjie Xu
Rotational spectra of two six-membered heterocyclic N-methyl-piperidinol compounds: Conformations by OH rotation, N-methyl inversion, and ring puckering. The Journal of chemical physics 146 (10) (2018)
Fan Xie, Xiaoqian Ng, Nathan A Seifert, Javix Thomas, Wolfgang Jäger, Yunjie Xu
Rotational spectroscopy of chiral tetrahydro-2-furoic acid: Conformational landscape, conversion, and abundances. The Journal of chemical physics 149 (22) (2018)
Javix Thomas, Nathan A Seifert, Wolfgang Jäger, Yunjie Xu
A Direct Link from the Gas to the Condensed Phase: A Rotational Spectroscopic Study of 2,2,2-Trifluoroethanol Trimers. Angewandte Chemie (International ed. in English) 56 (22) (2017)