Analysis of vibrational spectra of polypeptides in terms of localized vibrations

Christoph R Jacob , SANDRA LUBER , MARKUS REIHER
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 240

2010
M-OSSBAUER SPECTROSCOPY FOR HEAVY ELEMENTS: A RELATIVISTIC BENCHMARK STUDY OF MERCURY

SAMUEL FUX , MARKUS REIHER , STEFAN KNECHT , TROND SAUE

SCINE READUCT 4.1. 0

CHRISTOPH BRUNKEN , KATJA-SOPHIA CSIZI , STEPHANIE GRIMMEL , STEFAN GUGLER
Smpte Journal

1
2022
SCINE READUCT 5.1. 0

MORITZ BENSBERG , CHRISTOPH BRUNKEN , KATJA-SOPHIA CSIZI , STEPHANIE GRIMMEL

2023
SCINE MOLASSEMBLER 1.1. 0

JAN-GRIMO SOBEZ , MARKUS REIHER

1
2021
CAS

CHRISTOPHER J STEIN , MARKUS REIHER

1
2018
SCINE MOLASSEMBLER 1.2.

MORITZ BENSBERG , STEPHANIE A GRIMMEL , JAN-GRIMO SOBEZ , MIGUEL STEINER

2022
SCINE SWOOSE 1.0. 0

CHRISTOPH BRUNKEN , KATJA-SOPHIA CSIZI , MARKUS REIHER

2021
THEORETICAL STUDIES INTO THE MECHANISM OF [FE] AND [FEFE] HYDROGENASES

ARNDT R FINKELMANN , MARTIN T STIEBRITZ , MARKUS REIHER

ANALYSIS OF THE CARTESIAN TENSOR TRANSFER METHOD FOR CALCULATING VIBRATIONAL SPECTRA OF POLYPEPTIDES

MORITZ P HAAG , NOAH S BIELER , CHRISTOPH R JACOB , MARKUS REIHER

SCINE READUCT 6.0. 0

MORITZ BENSBERG , CHRISTOPH BRUNKEN , KATJA-SOPHIA CSIZI , STEPHANIE GRIMMEL

2024
SCINE SWOOSE 2.1. 0

MORITZ BENSBERG , CHRISTOPH BRUNKEN , KATJA-SOPHIA CSIZI , MIGUEL STEINER

2024
SCINE MOLASSEMBLER 3.0. 0

MORITZ BENSBERG , STEPHANIE A GRIMMEL , JAN-GRIMO SOBEZ , MIGUEL STEINER

4
2024
Gas-Phase CH and NH Bond Activation by a High Valent Nitrido-lron Dication and (NH)-Transfer to Activated Olefins

Maria SCHLANGEN , Johannes NEUGEBAUER , Markus REIHER , Detlef SCHRBDER
Journal of the American Chemical Society 130 ( 13) 4283 -4292

2008
Unravelling the quantum-entanglement effect of noble gas coordination on the spin ground state of CUO†

Markus Reiher , Paweł Tecmer , Katharina Boguslawski , Örs Legeza
Physical Chemistry Chemical Physics 16 ( 2) 719 -727

38
2014
Spin in Density-Functional Theory

Markus Reiher , Christoph R. Jacob
arXiv: Chemical Physics

248
2012
Quantum chemical methods for the vibrational spectroscopy of large molecules

Markus Reiher
International Conference on Computational Methods in Science and Engineering 1437 -1440

2006