rovibrational spectra Recently Published Documents

MARVEL analysis of the high-resolution rovibrational spectra of H16O35Cl

Journal of Molecular Spectroscopy ◽

10.1016/j.jms.2021.111561 ◽

2021 ◽

pp. 111561

Author(s):

Balázs Rácsai ◽

Tibor Furtenbacher ◽

Luciano Fusina ◽

Gianfranco Di Lonardo ◽

Attila G. Császár

Keyword(s):

High Resolution ◽

A full-dimensional ab initio intermolecular potential energy surface and rovibrational spectra for OC–HF and OC–DF

10.1063/5.0061291 ◽

2021 ◽

Vol 155 (8) ◽

pp. 084302

Author(s):

Qiong Liu ◽

Lu Liu ◽

Feng An ◽

Jing Huang ◽

Yanzi Zhou ◽

...

Keyword(s):

Potential Energy ◽

Ab Initio ◽

Energy Surface ◽

Intermolecular Potential ◽

On the role of coupled-clusters' full triple and perturbative quadruple excitations on rovibrational spectra of van der Waals complexes

Molecular Physics ◽

10.1080/00268976.2021.1955989 ◽

2021 ◽

pp. e1955989

Author(s):

Piotr Jankowski ◽

Ewelina Grabowska ◽

Krzysztof Szalewicz

Keyword(s):

Van Der Waals ◽

Van Der Waals Complexes ◽

Coupled Clusters ◽

Ab Initio molecular dynamics with screened Lorentz forces. II. Efficient propagators and rovibrational spectra in strong magnetic fields

10.1063/5.0056235 ◽

2021 ◽

Vol 155 (2) ◽

pp. 024105

Author(s):

Laurens D. M. Peters ◽

Tanner Culpitt ◽

Laurenz Monzel ◽

Erik I. Tellgren ◽

Trygve Helgaker

Keyword(s):

Molecular Dynamics ◽

Magnetic Fields ◽

Ab Initio ◽

Ab Initio Molecular Dynamics ◽

Strong Magnetic Fields ◽

Lorentz Forces ◽

Rovibrational spectra of nonpolar (N2O)2 and Ar–N2O complexes in the 2v2 overtone region of N2O

Journal of Molecular Spectroscopy ◽

10.1016/j.jms.2021.111424 ◽

2021 ◽

Vol 377 ◽

pp. 111424

Author(s):

Xiang Li ◽

Zhuang Liu ◽

Chuanxi Duan

Keyword(s):

A new six-dimensional ab initio potential energy surface and rovibrational spectra for the Ne–H2S complex

Chemical Physics Letters ◽

10.1016/j.cplett.2020.138156 ◽

2021 ◽

Vol 763 ◽

pp. 138156

Author(s):

Xin Pei ◽

Yang Peng ◽

Hua Zhu

Keyword(s):

Potential Energy ◽

Ab Initio ◽

Energy Surface ◽

Explicitly correlated ab initio potential energy surface and predicted rovibrational spectra for H2O–N2 and D2O–N2 complexes

10.1063/5.0009098 ◽

2020 ◽

Vol 153 (5) ◽

pp. 054303

Author(s):

Lu Wang ◽

Xiao-Long Zhang ◽

Yu Zhai ◽

Marcel Nooijen ◽

Hui Li

Keyword(s):

Potential Energy ◽

Ab Initio ◽

Energy Surface ◽

Explicitly Correlated ◽

A new four-dimensional ab initio potential energy surface and rovibrational spectra for the C2H2–Ar complex

Molecular Physics ◽

10.1080/00268976.2019.1705414 ◽

2019 ◽

Vol 118 (14) ◽

pp. e1705414 ◽

Cited By ~ 1

Author(s):

Chaoying Han ◽

Xin Pei ◽

Hua Zhu ◽

Hongjun Fan

Keyword(s):

Potential Energy ◽

Ab Initio ◽

Energy Surface ◽

Exact bound rovibrational spectra of the neon tetramer

10.1063/1.5125145 ◽

2019 ◽

Vol 151 (17) ◽

pp. 174304

Author(s):

János Sarka ◽

Corey Petty ◽

Bill Poirier

Keyword(s):

Exact Bound ◽