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Cited article:

A scientific biography of Dr. Timothy J. Lee

Partha P. Bera, Xinchuan Huang, Ryan C. Fortenberry, Henry F. Schaefer III and Martin Head-Gordon
Molecular Physics 122 (7-8) (2024)
https://doi.org/10.1080/00268976.2024.2313816

Accurate Electronic and Optical Properties of Organic Doublet Radicals Using Machine Learned Range-Separated Functionals

Cheng-Wei Ju, Yili Shen, Ethan J. French, Jun Yi, Hongshan Bi, Aaron Tian and Zhou Lin
The Journal of Physical Chemistry A 128 (12) 2457 (2024)
https://doi.org/10.1021/acs.jpca.3c07437

Cavity Ring-Down Spectroscopy of Anthracene, 9-Methylanthracene, and 2-Methylanthracene in Supersonic Expansion

Salma Bejaoui, Partha P. Bera, Farid Salama and Timothy Lee
The Journal of Physical Chemistry A 127 (12) 2717 (2023)
https://doi.org/10.1021/acs.jpca.2c08994

Energy Landscape and Structural and Spectroscopic Characterization of Diazirine and Its Cyclic Isomers

Partha P. Bera, Kendra K. Noneman and Timothy J. Lee
The Journal of Physical Chemistry A 126 (29) 4700 (2022)
https://doi.org/10.1021/acs.jpca.2c01444

Molecular growth upon ionization of van der Waals clusters containing HCCH and HCN is a pathway to prebiotic molecules

Tamar Stein, Partha P. Bera, Timothy J. Lee and Martin Head-Gordon
Physical Chemistry Chemical Physics 22 (36) 20337 (2020)
https://doi.org/10.1039/D0CP03350B

Highly Accurate Quartic Force Field and Rovibrational Spectroscopic Constants for the Azirinyl Cation (c-C2NH2+) and Its Isomers

Partha P. Bera, Xinchuan Huang and Timothy J. Lee
The Journal of Physical Chemistry A 124 (2) 362 (2020)
https://doi.org/10.1021/acs.jpca.9b10290

Prebiotic Astrochemistry and the Formation of Molecules of Astrobiological Interest in Interstellar Clouds and Protostellar Disks

Scott A. Sandford, Michel Nuevo, Partha P. Bera and Timothy J. Lee
Chemical Reviews 120 (11) 4616 (2020)
https://doi.org/10.1021/acs.chemrev.9b00560

Structural and spectroscopic properties of complexes formed between HNCS and SO 2 in low temperature matrices

Justyna Krupa and Maria Wierzejewska
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 183 144 (2017)
https://doi.org/10.1016/j.saa.2017.04.049

Structure, Ionization, and Fragmentation of Neutral and Positively Charged Hydrogenated Carbon Clusters: CnHmq+ (n = 1–5, m = 1–4, q = 0–3)

Juan P. Sánchez, Néstor F. Aguirre, Sergio Díaz-Tendero, Fernando Martín and Manuel Alcamí
The Journal of Physical Chemistry A 120 (4) 588 (2016)
https://doi.org/10.1021/acs.jpca.5b10143

Characterization of the Azirinyl Cation and Its Isomers

Sara I. L. Kokkila Schumacher, Partha P. Bera and Timothy J. Lee
The Journal of Physical Chemistry A 120 (8) 1275 (2016)
https://doi.org/10.1021/acs.jpca.5b12373

INSIGHTS INTO HYDROCARBON CHAIN AND AROMATIC RING FORMATION IN THE INTERSTELLAR MEDIUM: COMPUTATIONAL STUDY OF THE ISOMERS OF AND AND THEIR FORMATION PATHWAYS

Roberto Peverati, Partha P. Bera, Timothy J. Lee and Martin Head-Gordon
The Astrophysical Journal 830 (2) 128 (2016)
https://doi.org/10.3847/0004-637X/830/2/128

EXPERIMENTAL AND COMPUTATIONAL STUDIES OF THE FORMATION MECHANISM OF PROTONATED INTERSTELLAR DIAZINES

Zhe-Chen Wang, Callie A. Cole, Theodore P. Snow and Veronica M. Bierbaum
The Astrophysical Journal 798 (2) 102 (2015)
https://doi.org/10.1088/0004-637X/798/2/102

Hydrocarbon growth via ion-molecule reactions: computational studies of the isomers of C4H2+, C6H2+ and C6H4+ and their formation paths from acetylene and its fragments

Partha P. Bera, Roberto Peverati, Martin Head-Gordon and Timothy J. Lee
Physical Chemistry Chemical Physics 17 (3) 1859 (2015)
https://doi.org/10.1039/C4CP04480K

Formation and Stability of C6H3+ Isomers

Roberto Peverati, Partha P. Bera, Timothy J. Lee and Martin Head-Gordon
The Journal of Physical Chemistry A 118 (43) 10109 (2014)
https://doi.org/10.1021/jp5081862

Relative energies, structures, vibrational frequencies, and electronic spectra of pyrylium cation, an oxygen-containing carbocyclic ring isoelectronic with benzene, and its isomers

Partha P. Bera, Martin Head-Gordon and Timothy J. Lee
The Journal of Chemical Physics 139 (17) (2013)
https://doi.org/10.1063/1.4826138

Chemistry of HCNH+: mechanisms, structures, and relevance to Titan’s atmosphere

Nicholas J. Demarais, Zhibo Yang, Theodore P. Snow and Veronica M. Bierbaum
Structural Chemistry 24 (6) 1957 (2013)
https://doi.org/10.1007/s11224-013-0275-4

LABORATORY INVESTIGATIONS OF POLYCYCLIC AROMATIC HYDROCARBON FORMATION AND DESTRUCTION IN THE CIRCUMSTELLAR OUTFLOWS OF CARBON STARS

Cesar S. Contreras and Farid Salama
The Astrophysical Journal Supplement Series 208 (1) 6 (2013)
https://doi.org/10.1088/0067-0049/208/1/6

Association mechanisms of unsaturated C2 hydrocarbons with their cations: acetylene and ethylene

Partha P. Bera, Martin Head-Gordon and Timothy J. Lee
Phys. Chem. Chem. Phys. 15 (6) 2012 (2013)
https://doi.org/10.1039/C2CP43740F

Complementary and Emerging Techniques for Astrophysical Ices Processed in the Laboratory

M. A. Allodi, R. A. Baragiola, G. A. Baratta, et al.
Space Science Reviews 180 (1-4) 101 (2013)
https://doi.org/10.1007/s11214-013-0020-8

Association mechanisms of unsaturated C2 hydrocarbons with their cations: acetylene and ethylene

Partha P. Bera, Martin Head-Gordon and Timothy J. Lee
Phys. Chem. Chem. Phys. 15 (6) 2012 (2013)
https://doi.org/10.1039/c2cp43740f