1. A celebration of the Swedish school. (17th September 2017) Authors: Head-Gordon, Martin; Lindh, Roland Journal: Molecular physics Issue: Volume 115:Number 17/18(2017) Page Start: 1993 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. A computational study of CH4 storage in porous framework materials with metalated linkers: connecting the atomistic character of CH4 binding sites to usable capacity. Issue 7 (7th April 2016) Authors: Tsivion, Ehud; Mason, Jarad A.; Gonzalez, Miguel. I.; Long, Jeffrey R.; Head-Gordon, Martin Journal: Chemical science Issue: Volume 7:Issue 7(2016:Jul.) Page Start: 4503 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. A non-perturbative pairwise-additive analysis of charge transfer contributions to intermolecular interaction energies. Issue 2 (23rd December 2020) Authors: Veccham, Srimukh Prasad; Lee, Joonho; Mao, Yuezhi; Horn, Paul R.; Head-Gordon, Martin Journal: Physical chemistry chemical physics Issue: Volume 23:Issue 2(2020) Page Start: 928 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. A non-perturbative pairwise-additive analysis of charge transfer contributions to intermolecular interaction energies. Issue 2 (23rd December 2020) Authors: Veccham, Srimukh Prasad; Lee, Joonho; Mao, Yuezhi; Horn, Paul R.; Head-Gordon, Martin Journal: Physical chemistry chemical physics Issue: Volume 23:Issue 2(2020) Page Start: 928 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. A systematic study on Pt based, subnanometer-sized alloy cluster catalysts for alkane dehydrogenation: effects of intermetallic interaction. Issue 16 (4th April 2016) Authors: Hauser, Andreas W.; Horn, Paul R.; Head-Gordon, Martin; Bell, Alexis T. Journal: Physical chemistry chemical physics Issue: Volume 18:Issue 16(2016) Page Start: 10906 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. Ab initio molecular dynamics simulations of liquid water using high quality meta-GGA functionals. Issue 5 (8th March 2017) Authors: Ruiz Pestana, Luis; Mardirossian, Narbe; Head-Gordon, Martin; Head-Gordon, Teresa Journal: Chemical science Issue: Volume 8:Issue 5(2017) Page Start: 3554 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. Accurate core excitation and ionization energies from a state-specific coupled-cluster singles and doubles approach. Issue 35 (25th August 2022) Authors: Arias-Martinez, Juan E.; Cunha, Leonardo A.; Oosterbaan, Katherine J.; Lee, Joonho; Head-Gordon, Martin Journal: Physical chemistry chemical physics Issue: Volume 24:Issue 35(2022) Page Start: 20728 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
8. Addressing first derivative discontinuities in orbital-optimised opposite-spin scaled second-order perturbation theory with regularisation. (17th September 2017) Authors: Razban, Rostam M.; Stück, David; Head-Gordon, Martin Journal: Molecular physics Issue: Volume 115:Number 17/18(2017) Page Start: 2102 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
9. An assessment of strategies for the development of solid-state adsorbents for vehicular hydrogen storage. Issue 10 (13th August 2018) Authors: Allendorf, Mark D.; Hulvey, Zeric; Gennett, Thomas; Ahmed, Alauddin; Autrey, Tom; Camp, Jeffrey; Seon Cho, Eun; Furukawa, Hiroyasu; Haranczyk, Maciej; Head-Gordon, Martin; Jeong, Sohee; Karkamkar, Abhi; Liu, Di-Jia; Long, Jeffrey R.; Meihaus, Katie R.; Nayyar, Iffat H.; Nazarov, Roman; Siegel, Do... Journal: Energy & environmental science Issue: Volume 11:Issue 10(2018) Page Start: 2784 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
10. Beyond the Coulson–Fischer point: characterizing single excitation CI and TDDFT for excited states in single bond dissociations. Issue 39 (25th September 2019) Authors: Hait, Diptarka; Rettig, Adam; Head-Gordon, Martin Journal: Physical chemistry chemical physics Issue: Volume 21:Issue 39(2019) Page Start: 21761 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗