Adam Kirrander
Overview
Explore the profile of Adam Kirrander including associated specialties, affiliations and a list of published articles.
Author names and details appear as published. Due to indexing inconsistencies, multiple individuals may share a name, and a single author may have variations. MedLuna displays this data as publicly available, without modification or verification
Snapshot
Snapshot
Articles
63
Citations
208
Followers
0
Related Specialties
Related Specialties
Top 10 Co-Authors
Top 10 Co-Authors
Published In
Published In
Affiliations
Affiliations
Soon will be listed here.
Recent Articles
1.
Scholes G, Olaya-Castro A, Mukamel S, Kirrander A, Ni K, Hedley G, et al.
J Phys Chem Lett
. 2025 Jan;
16(5):1376-1396.
PMID: 39879081
We discuss the goals and the need for quantum information science (QIS) in chemistry. It is important to identify concretely how QIS matters to chemistry, and we articulate some of...
2.
Cooper J, Kirrander A
Phys Chem Chem Phys
. 2025 Jan;
27(6):3089-3101.
PMID: 39831396
The ground and excited state electronic structure of the molecular photoswitches quadricyclane and norbornadiene is examined qualitatively and quantitatively. A new custom basis set is introduced, optimised for efficient yet...
3.
Revealing the reaction path of UVC bond rupture in cyclic disulfides with ultrafast x-ray scattering
Ma L, Du W, Yong H, Stankus B, Ruddock J, Carrascosa A, et al.
Sci Adv
. 2025 Jan;
11(3):eadp9175.
PMID: 39813348
Disulfide bonds are ubiquitous molecular motifs that influence the tertiary structure and biological functions of many proteins. Yet, it is well known that the disulfide bond is photolabile when exposed...
4.
Garrow M, Bertram L, Winter A, Prentice A, Crane S, Lane P, et al.
Commun Chem
. 2025 Jan;
8(1):7.
PMID: 39789245
Various photoactive molecules contain motifs built on aza-aromatic heterocycles, although a detailed understanding of the excited state photophysics and photochemistry in such systems is not fully developed. To help address...
5.
Hutton L, Carrascosa A, Prentice A, Simmermacher M, Runeson J, Paterson M, et al.
J Chem Phys
. 2024 May;
160(20).
PMID: 38814011
Using the recently developed multistate mapping approach to surface hopping (multistate MASH) method combined with SA(3)-CASSCF(12,12)/aug-cc-pVDZ electronic structure calculations, the gas-phase isotropic ultrafast electron diffraction (UED) of cyclobutanone is predicted...
6.
Huang L, Bertram L, Ma L, Goff N, Crane S, Odate A, et al.
J Phys Chem A
. 2024 May;
128(25):4992-4998.
PMID: 38709555
The dynamics of cyclopentadiene (CP) following optical excitation at 243 nm was investigated by time-resolved pump-probe X-ray scattering using 16.2 keV X-rays at the Linac Coherent Light Source (LCLS). We...
7.
Makhov D, Hutton L, Kirrander A, Shalashilin D
J Chem Phys
. 2024 Apr;
160(16).
PMID: 38661201
We present the result of our calculations of ultrafast electron diffraction (UED) for cyclobutanone excited into the S2 electronic state, which is based on the non-adiabatic dynamics simulations with the...
8.
Northey T, Kirrander A, Weber P
J Synchrotron Radiat
. 2024 Feb;
31(Pt 2):303-311.
PMID: 38385277
X-ray and electron scattering from free gas-phase molecules is examined using the independent atom model (IAM) and ab initio electronic structure calculations. The IAM describes the effect of the molecular...
9.
Cooper J, Holland D, Ingle R, Bonanomi M, Facciala D, De Oliveira N, et al.
J Chem Phys
. 2024 Feb;
160(6).
PMID: 38349638
The absolute photoabsorption cross sections of norbornadiene (NBD) and quadricyclane (QC), two isomers with chemical formula C7H8 that are attracting much interest for solar energy storage applications, have been measured...
10.
Borne K, Cooper J, Ashfold M, Bachmann J, Bhattacharyya S, Boll R, et al.
Nat Chem
. 2024 Feb;
16(4):499-505.
PMID: 38307994
The light-induced ultrafast switching between molecular isomers norbornadiene and quadricyclane can reversibly store and release a substantial amount of chemical energy. Prior work observed signatures of ultrafast molecular dynamics in...