1. Capturing quantum effects with quasi-classical trajectories in the D + H+3 → H2D+ + H reaction. Issue 9 (16th February 2022) Authors: Braunstein, Matthew; Bonnet, Laurent; Roncero, Octavio Journal: Physical chemistry chemical physics Issue: Volume 24:Issue 9(2022) Page Start: 5489 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. Full dimensional potential energy surface and low temperature dynamics of the H2CO + OH → HCO + H2O reaction. Issue 8 (29th September 2017) Authors: Zanchet, Alexandre; del Mazo, Pablo; Aguado, Alfredo; Roncero, Octavio; Jiménez, Elena; Canosa, André; Agúndez, Marcelino; Cernicharo, José Journal: Physical chemistry chemical physics Issue: Volume 20:Issue 8(2018) Page Start: 5415 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. Low temperature reaction dynamics for CH3OH + OH collisions on a new full dimensional potential energy surface. Issue 40 (8th October 2018) Authors: Roncero, Octavio; Zanchet, Alexandre; Aguado, Alfredo Journal: Physical chemistry chemical physics Issue: Volume 20:Issue 40(2018) Page Start: 25951 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. Origin band of the first photoionizing transition of hydrogen isocyanide. Issue 5 (18th January 2019) Authors: Gans, Bérenger; Garcia, Gustavo A.; Boyé-Péronne, Séverine; Pratt, Stephen T.; Guillemin, Jean-Claude; Aguado, Alfredo; Roncero, Octavio; Loison, Jean-Christophe Journal: Physical chemistry chemical physics Issue: Volume 21:Issue 5(2019) Page Start: 2337 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. Quantum and quasi-classical calculations for the S+ + H2(v, j) → SH+(v′, j′) + H reactive collisions. Issue 16 (8th April 2016) Authors: Zanchet, Alexandre; Roncero, Octavio; Bulut, Niyazi Journal: Physical chemistry chemical physics Issue: Volume 18:Issue 16(2016) Page Start: 11391 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. Theoretical methods for the rotation–vibration spectra of triatomic molecules: distributed Gaussian functions compared with hyperspherical coordinates. Issue 3 (2nd October 2018) Authors: Márquez-Mijares, Maykel; Roncero, Octavio; Villarreal, Pablo; González-Lezana, Tomás Journal: International reviews in physical chemistry Issue: Volume 37:Issue 3/4(2018) Page Start: 329 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. Theoretical methods for the rotation–vibration spectra of triatomic molecules: distributed Gaussian functions compared with hyperspherical coordinates. Issue 3 (3rd July 2018) Authors: Márquez-Mijares, Maykel; Roncero, Octavio; Villarreal, Pablo; González-Lezana, Tomás Journal: International reviews in physical chemistry Issue: Volume 37:Issue 3/4(2018) Page Start: 329 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
8. Three states global fittings with improved long range: singlet and triplet states of H+3. Issue 13 (15th September 2020) Authors: Aguado, Alfredo; Roncero, Octavio; Sanz-Sanz, Cristina Journal: Physical chemistry chemical physics Issue: Volume 23:Issue 13(2021) Page Start: 7735 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗