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Journal Articles

Molecular insights into odorant recognition: Rotational and docking studies of 3-methylcyclopentane-1,2-dione and its monohydrate

Meng Li, Juan Wang, Sven Herbers, Xiujuan Wang, Hao Wang, Qian Gou, Jens-Uwe Grabow, Geng Zhong

J. Chem. Phys. 162, 104305 (2025)

https://doi.org/10.1063/5.0257066

Published: March 2025

View articletitled, Molecular insights into odorant recognition: Rotational and docking studies of 3-methylcyclopentane-1,2-dione and its monohydrate

Journal Articles

Exploring low barrier quantum tunneling and structural planarity in 3-methylstyrene conformers: Insights from microwave spectroscopy

Thusitha S. Jayasekara, Cadence Miller, Dinesh Marasinghe, Michael J. Carrillo, Mitchell Swann, Michael J. Tubergen, Isabelle Kleiner, Ranil M. Gurusinghe

J. Chem. Phys. 162, 044303 (2025)

https://doi.org/10.1063/5.0238251

Published: January 2025

View articletitled, Exploring low barrier quantum tunneling and structural planarity in 3-methylstyrene conformers: Insights from microwave spectroscopy

Journal Articles

Progress in understanding the infrared spectrum of the H₂O–O₂ dimer

A. J. Barclay, A. R. W. McKellar, N. Moazzen-Ahmadi

J. Chem. Phys. 162, 024302 (2025)

https://doi.org/10.1063/5.0249338

Published: January 2025

View articletitled, Progress in understanding the infrared spectrum of the H2O–O2 dimer

Journal Articles

Tunneling and conformational preferences in racemic- and meso-2,4-pentanediol: A rotational spectroscopic and theoretical investigation

Colton D. Carlson, Mason D’Souza, Jiarui Ma, Alex N. Mort, Aran Insausti, Yunjie Xu

J. Chem. Phys. 161, 244301 (2024)

https://doi.org/10.1063/5.0246313

Published: December 2024

View articletitled, Tunneling and conformational preferences in racemic- and meso-2,4-pentanediol: A rotational spectroscopic and theoretical investigation

Journal Articles

Coupled methyl internal rotations with intermediate and low torsional barriers in 2,5-dimethylanisole investigated by microwave spectroscopy

Haoyue Sun, Lynn Ferres, Isabelle Kleiner, Ha Vinh Lam Nguyen

J. Chem. Phys. 161, 224304 (2024)

https://doi.org/10.1063/5.0235431

Published: December 2024

View articletitled, Coupled methyl internal rotations with intermediate and low torsional barriers in 2,5-dimethylanisole investigated by microwave spectroscopy

Journal Articles

Acceleration of rovibrational spectrum calculations through sparsity techniques

Subhasish Das, Guntram Rauhut

J. Chem. Phys. 161, 204101 (2024)

https://doi.org/10.1063/5.0240689

Published: November 2024

View articletitled, Acceleration of rovibrational spectrum calculations through sparsity techniques

Journal Articles

Exploring atmospheric nucleation processes: Hydration and fluoroalcoholic complexation of pyruvic acid

Andrea Vázquez, Pablo Pinacho, Maider Parra-Santamaría, Francisco J. Basterretxea, Wutharath Chin, Emilio J. Cocinero

J. Chem. Phys. 161, 144311 (2024)

https://doi.org/10.1063/5.0230352

Published: October 2024

View articletitled, Exploring atmospheric nucleation processes: Hydration and fluoroalcoholic complexation of pyruvic acid

Journal Articles

Preserving the symmetry of cis-1,2-difluoroethylene in the gas-phase heterodimer with hydrogen chloride: A microwave rotational study revealing a novel structure

Helen O. Leung, Mark D. Marshall

J. Chem. Phys. 161, 104304 (2024)

https://doi.org/10.1063/5.0231236

Published: September 2024

View articletitled, Preserving the symmetry of cis-1,2-difluoroethylene in the gas-phase heterodimer with hydrogen chloride: A microwave rotational study revealing a novel structure

Journal Articles

Accurate structures and rotational constants of bicyclic monoterpenes at DFT cost by means of the bond-corrected Pisa composite scheme (BPCS)

Lina Uribe, Federico Lazzari, Silvia Di Grande, Luigi Crisci, Marco Mendolicchio, Vincenzo Barone

J. Chem. Phys. 161, 014307 (2024)

https://doi.org/10.1063/5.0216384

Published: July 2024

View articletitled, Accurate structures and rotational constants of bicyclic monoterpenes at DFT cost by means of the bond-corrected Pisa composite scheme (BPCS)

Journal Articles

Coupled internal rotations and ¹⁴N quadrupole hyperfine structure of 2,4-dimethylpyrrole investigated by microwave spectroscopy and quantum chemistry

Mike Barth, Isabelle Kleiner, Ha Vinh Lam Nguyen

J. Chem. Phys. 160, 244303 (2024)

https://doi.org/10.1063/5.0213319

Published: June 2024

View articletitled, Coupled internal rotations and 14N quadrupole hyperfine structure of 2,4-dimethylpyrrole investigated by microwave spectroscopy and quantum chemistry

Journal Articles

Decrypting the critical point of internal rotation of formaldehyde: A rotational study of the acrolein–formaldehyde complex

Meiyue Li, Xiao Tian, Weiping Du, Xiujuan Wang, Juncheng Lei, Tianyue Gao, Siyu Zou, Xuefang Xu, Hao Wang, Junhua Chen, Qian Gou

J. Chem. Phys. 160, 234303 (2024)

https://doi.org/10.1063/5.0211674

Published: June 2024

View articletitled, Decrypting the critical point of internal rotation of formaldehyde: A rotational study of the acrolein–formaldehyde complex

Journal Articles

Fourier transform microwave spectroscopy of the ¹³C- and ¹⁸O-substituted tropolone. Proton tunneling effect for the isotopic species with the asymmetric potential wells

Keiichi Tanaka, Kensuke Harada, Yoshihiro Watanabe, Yasuki Endo

J. Chem. Phys. 160, 214311 (2024)

https://doi.org/10.1063/5.0204891

Published: June 2024

View articletitled, Fourier transform microwave spectroscopy of the 13C- and 18O-substituted tropolone. Proton tunneling effect for the isotopic species with the asymmetric potential wells

Journal Articles

Product-specific reaction kinetics in continuous uniform supersonic flows probed by chirped-pulse microwave spectroscopy

Théo Guillaume, Brian M. Hays, Divita Gupta, Ilsa R. Cooke, Omar Abdelkader Khedaoui, Thomas S. Hearne, Myriam Drissi, Ian R. Sims

J. Chem. Phys. 160, 204201 (2024)

https://doi.org/10.1063/5.0203428

Published: May 2024

View articletitled, Product-specific reaction kinetics in continuous uniform supersonic flows probed by chirped-pulse microwave spectroscopy

Journal Articles

The effect of microsolvation on the structure, nuclear quadrupole coupling, and internal rotation: The methyl carbamate⋯(H₂O)_1–3 complexes

Pablo Pinacho, Juan Carlos López, Zbigniew Kisiel, Susana Blanco

J. Chem. Phys. 160, 164315 (2024)

https://doi.org/10.1063/5.0204953

Published: April 2024

View articletitled, The effect of microsolvation on the structure, nuclear quadrupole coupling, and internal rotation: The methyl carbamate⋯(H2O)1–3 complexes

Includes: Supplementary data

Journal Articles

Low barriers to internal rotation in the microwave spectrum of 2,5-dimethylfluorobenzene

Haoyue Sun, Safa Khemissi, Isabelle Kleiner, Ha Vinh Lam Nguyen

J. Chem. Phys. 160, 094302 (2024)

https://doi.org/10.1063/5.0185005

Published: March 2024

View articletitled, Low barriers to internal rotation in the microwave spectrum of 2,5-dimethylfluorobenzene

Includes: Supplementary data

Journal Articles

Conformations of borneol and isoborneol in the gas phase: Their monomers and microsolvation clusters

Pablo Pinacho, María Mar Quesada-Moreno, Melanie Schnell

J. Chem. Phys. 159, 194305 (2023)

https://doi.org/10.1063/5.0168947

Published: November 2023

View articletitled, Conformations of borneol and isoborneol in the gas phase: Their monomers and microsolvation clusters

Includes: Supplementary data

Journal Articles

Deciphering the non-covalent interactions in the furan⋯hexane complex using rotational spectroscopy and theoretical analyses

Jiarui Ma, Aran Insausti, Arsh S. Hazrah, Yunjie Xu

J. Chem. Phys. 159, 134302 (2023)

https://doi.org/10.1063/5.0166935

Published: October 2023

View articletitled, Deciphering the non-covalent interactions in the furan⋯hexane complex using rotational spectroscopy and theoretical analyses

Includes: Supplementary data

Journal Articles

Exploring the distinct conformational preferences of allyl ethyl ether and allyl ethyl sulfide using rotational spectroscopy and computational chemistry

Tamanna Poonia, Jennifer van Wijngaarden

J. Chem. Phys. 158, 224301 (2023)

https://doi.org/10.1063/5.0153479

Published: June 2023

View articletitled, Exploring the distinct conformational preferences of allyl ethyl ether and allyl ethyl sulfide using rotational spectroscopy and computational chemistry

Includes: Supplementary data

Journal Articles

The gas-phase structure determination of α-pinene oxide: An endo-cyclic epoxide of atmospheric interest

E. M. Neeman, N. Osseiran, T. R. Huet

J. Chem. Phys. 158, 154304 (2023)

https://doi.org/10.1063/5.0147909

Published: April 2023

View articletitled, The gas-phase structure determination of α-pinene oxide: An endo-cyclic epoxide of atmospheric interest

Includes: Supplementary data

Journal Articles

Cooperative hydrogen bonding in thiazole⋯(H₂O)₂ revealed by microwave spectroscopy

Eva Gougoula, Charlotte N. Cummings, Yugao Xu, Tao Lu, Gang Feng, Nicholas R. Walker

J. Chem. Phys. 158, 114307 (2023)

https://doi.org/10.1063/5.0143024

Published: March 2023

View articletitled, Cooperative hydrogen bonding in thiazole⋯(H2O)2 revealed by microwave spectroscopy

Includes: Supplementary data

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Molecular insights into odorant recognition: Rotational and docking studies of 3-methylcyclopentane-1,2-dione and its monohydrate

Exploring low barrier quantum tunneling and structural planarity in 3-methylstyrene conformers: Insights from microwave spectroscopy

Progress in understanding the infrared spectrum of the H₂O–O₂ dimer

Tunneling and conformational preferences in racemic- and meso-2,4-pentanediol: A rotational spectroscopic and theoretical investigation

Coupled methyl internal rotations with intermediate and low torsional barriers in 2,5-dimethylanisole investigated by microwave spectroscopy

Acceleration of rovibrational spectrum calculations through sparsity techniques

Exploring atmospheric nucleation processes: Hydration and fluoroalcoholic complexation of pyruvic acid

Preserving the symmetry of cis-1,2-difluoroethylene in the gas-phase heterodimer with hydrogen chloride: A microwave rotational study revealing a novel structure

Accurate structures and rotational constants of bicyclic monoterpenes at DFT cost by means of the bond-corrected Pisa composite scheme (BPCS)

Coupled internal rotations and ¹⁴N quadrupole hyperfine structure of 2,4-dimethylpyrrole investigated by microwave spectroscopy and quantum chemistry

Decrypting the critical point of internal rotation of formaldehyde: A rotational study of the acrolein–formaldehyde complex

Fourier transform microwave spectroscopy of the ¹³C- and ¹⁸O-substituted tropolone. Proton tunneling effect for the isotopic species with the asymmetric potential wells

Product-specific reaction kinetics in continuous uniform supersonic flows probed by chirped-pulse microwave spectroscopy

The effect of microsolvation on the structure, nuclear quadrupole coupling, and internal rotation: The methyl carbamate⋯(H₂O)_1–3 complexes

Low barriers to internal rotation in the microwave spectrum of 2,5-dimethylfluorobenzene

Conformations of borneol and isoborneol in the gas phase: Their monomers and microsolvation clusters

Deciphering the non-covalent interactions in the furan⋯hexane complex using rotational spectroscopy and theoretical analyses

Exploring the distinct conformational preferences of allyl ethyl ether and allyl ethyl sulfide using rotational spectroscopy and computational chemistry

The gas-phase structure determination of α-pinene oxide: An endo-cyclic epoxide of atmospheric interest

Cooperative hydrogen bonding in thiazole⋯(H₂O)₂ revealed by microwave spectroscopy

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