User profiles for Lucas Lang
 | Lucas LangTechnical University of Berlin Verified email at chem.tu-berlin.de Cited by 215 |
Solution of a puzzle: high-level quantum-chemical treatment of pseudocontact chemical shifts confirms classic semiempirical theory
A recently popularized approach for the calculation of pseudocontact shifts (PCSs) based
on first-principles quantum chemistry (QC) leads to different results than the classic “…
on first-principles quantum chemistry (QC) leads to different results than the classic “…
Endoreplication—a means to an end in cell growth and stress response
L Lang, A Schnittger - Current opinion in plant biology, 2020 - Elsevier
Highlights • Endoreplication occurs in many species and different cell types. •
Endoreplication often correlates with but does not appear to be a direct promoter of growth. • …
Endoreplication often correlates with but does not appear to be a direct promoter of growth. • …
Spin-dependent properties in the framework of the dynamic correlation dressed complete active space method
We report an extension of the recently proposed 2nd order dynamic correlation dressed
complete active space method [S. Pathak et al., J. Chem. Phys. 147, 234109 (2017)] to …
complete active space method [S. Pathak et al., J. Chem. Phys. 147, 234109 (2017)] to …
[HTML][HTML] Theoretical analysis of the long-distance limit of NMR chemical shieldings
After some years of controversy, it was recently demonstrated how to obtain the correct long-distance
limit [point-dipole approximation (PDA)] of pseudo-contact nuclear magnetic …
limit [point-dipole approximation (PDA)] of pseudo-contact nuclear magnetic …
The DREAM complex represses growth in response to DNA damage in Arabidopsis
L Lang, A Pettkó-Szandtner, HT Elbaşı… - Life Science …, 2021 - life-science-alliance.org
The DNA of all organisms is constantly damaged by physiological processes and environmental
conditions. Upon persistent damage, plant growth and cell proliferation are reduced. …
conditions. Upon persistent damage, plant growth and cell proliferation are reduced. …
Improvement of ab initio ligand field theory by means of multistate perturbation theory
Over the last few years, ab initio ligand field theory (AILFT) has evolved into an important tool
for the extraction of ligand field models from ab initio calculations. The inclusion of dynamic …
for the extraction of ligand field models from ab initio calculations. The inclusion of dynamic …
A dynamic correlation dressed complete active space method: Theory, implementation, and preliminary applications
Complete Active Space SCF (CASSCF) theory may provide poor 0th order descriptions due
to the lack of dynamic correlation. The most popular post-CASSCF approaches for …
to the lack of dynamic correlation. The most popular post-CASSCF approaches for …
[HTML][HTML] Deep learning metal complex properties with natural quantum graphs
Machine learning can make a strong contribution to accelerating the discovery of transition
metal complexes (TMC). These compounds will play a key role in the development of new …
metal complexes (TMC). These compounds will play a key role in the development of new …
A quantum chemistry view on two archetypical paramagnetic pentacoordinate nickel (II) complexes offers a fresh look on their NMR spectra
Quantum chemical methods for calculating paramagnetic NMR observables are becoming
increasingly accessible and are being included in the inorganic chemistry practice. Here, we …
increasingly accessible and are being included in the inorganic chemistry practice. Here, we …
Quantum Definition of Molecular Structure
Molecular structure, a key concept of chemistry, has remained elusive from the perspective
of all-particle quantum mechanics, despite many efforts. Viewing molecular structure as a …
of all-particle quantum mechanics, despite many efforts. Viewing molecular structure as a …