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1

Modeling the effect of land use and climate change on water resources and soil erosion in a tropical West African catch-ment (Dano, Burkina Faso) using SHETRAN

Op de Hipt, Felix, Diekkrüger, Bernd, Steup, Gero, Yira, Yacouba, Hoffmann, Thomas, Rode, Michael, Näschen, Kristian

Journal:

Science of The Total Environment

Year:

2019

Language:

english

File:

PDF, 2.57 MB

english, 2019

2

Modeling the impact of climate change on water resources and soil erosion in a tropical catchment in Burkina Faso, West Africa

Op de Hipt, Felix, Diekkrüger, Bernd, Steup, Gero, Yira, Yacouba, Hoffmann, Thomas, Rode, Michael

Journal:

Year:

2018

Language:

english

File:

PDF, 1.55 MB

english, 2018

3

Hydrated germanium (II): Irregular structural and dynamical properties revealed by a quantum mechanical charge field molecular dynamics study

S. Sikander Azam, Len Herald V. Lim, Thomas S. Hofer, Bernhard R. Randolf, Bernd M. Rode

Journal:

Journal of Computational Chemistry

Year:

2010

Language:

english

File:

PDF, 551 KB

english, 2010

4

Binding of zinc and cadmium to human serum albumin

Sakda T. Trisak, Prayong Doumgdee, Bernd M. Rode

Journal:

International Journal of Biochemistry

Year:

1990

Language:

english

File:

PDF, 446 KB

english, 1990

5

Decision Support for the Selection of Measures according to the Requirements of the EU Water Framework Directive

Bernd Klauer, Michael Rode, Johannes Schiller, Uwe Franko, Melanie Mewes

Journal:

Water Resources Management

Year:

2012

Language:

english

File:

PDF, 541 KB

english, 2012

6

Prebiotic Chemistry: The Amino Acid and Peptide World

Plankensteiner, Kristof, Reiner, Hannes, Rode, Bernd

Journal:

Current Organic Chemistry

Year:

2005

Language:

english

File:

PDF, 111 KB

english, 2005

7

AVA-Handbuch (Ausschreibung â Vergabe â Abrechnung) ||

RÃ¶sel, Wolfgang, Busch, Antonius, Rode, Bernd

Year:

2020

File:

PDF, 4.33 MB

2020

8

Structure and dynamics of solvated Ba(II) in dilute aqueous solution – an ab initio QM/MM MD approach

Thomas S. Hofer, Bernd M. Rode, Bernhard R. Randolf

Journal:

Chemical Physics

Year:

2005

Language:

english

File:

PDF, 349 KB

english, 2005

9

Glycine and Diglycine as Possible Catalytic Factors in the Prebiotic Evolution of Peptides

Kristof Plankensteiner, Alessandro Righi, Bernd M. Rode

Journal:

Origins of Life and Evolution of Biospheres

Year:

2002

Language:

english

File:

PDF, 92 KB

english, 2002

10

Structural and Dynamical Aspects of the Unsymmetric Hydration of Sb(III): An ab initio Quantum Mechanical Charge Field Molecular Dynamics Simulation

Lim, Len Herald V., Bhattacharjee, Anirban, Asam, S. Sikander, Hofer, Thomas S., Randolf, Bernhard R., Rode, Bernd M.

Journal:

Inorganic Chemistry

Year:

2010

Language:

english

File:

PDF, 2.14 MB

english, 2010

11

Handbook of Biologically Active Peptides || Prebiotic Peptides

Year:

2013

Language:

english

File:

PDF, 157 KB

english, 2013

12

MRI myocardial motion and fiber tracking: a confirmation of knowledge from different imaging modalities

Buckberg, Gerald D., Mahajan, Aman, Jung, Bernd, Markl, Michael, Hennig, Juergen, Ballester-Rodes, Manel

Journal:

European Journal of Cardio-Thoracic Surgery

Year:

2006

Language:

english

File:

PDF, 3.00 MB

english, 2006

13

The properties of trivalent praseodymium, neodymium, promethium and samarium ions in water: A quantum mechanical molecular dynamics study

Passler, Peter P., Rode, Bernd M.

Journal:

Chemical Physics Letters

Year:

2015

Language:

english

File:

PDF, 2.14 MB

english, 2015

14

Zur Nichtlinearität der NCO-Gruppe (MO-SCF-Berechnungen an Isocyanaten III) / The Nonlinearity of the NCO-Group (MO-SCF Calculations on Isocyanates III)

Rode, Bernd M., Kosmus, Walter, Naehbaur, Edgar

Journal:

Zeitschrift für Naturforschung A

Year:

1974

Language:

english

File:

PDF, 266 KB

english, 1974

15

Bidirectional molecular dynamics: Interpretation in terms of a modern formulation of classical mechanics

Kerdcharoen, Teerakiat, Liedl, Klaus R., Rode, Bernd M.

Journal:

Journal of Computational Chemistry

Year:

1996

Language:

english

File:

PDF, 518 KB

english, 1996

16

The melting points of oligomethylenes

Ton That Minh Tan, Bernd Michael Rode

Journal:

Journal of Polymer Science Part B: Polymer Physics

Year:

1996

Language:

english

File:

PDF, 358 KB

english, 1996

17

Structure-Activity Relationship Study of Nonpeptide δ-Opioid Receptor Ligands

Joaquín Lahsen, Helmut Schmidhammer, Bernd M. Rode

Journal:

Helvetica Chimica Acta

Year:

2001

Language:

english

File:

PDF, 80 KB

english, 2001

18

Simulation einer präbiotischen Bildung von Aminosäuren in einer neutralen Atmosphäre durch elektrische Funkenentladungen

Kristof Plankensteiner, Hannes Reiner, Benjamin Schranz, Bernd Michael Rode

Journal:

Angewandte Chemie

Year:

2004

Language:

german

File:

PDF, 107 KB

german, 2004

19

Prebiotic Formation of Amino Acids in a Neutral Atmosphere by Electric Discharge

Kristof Plankensteiner, Hannes Reiner, Benjamin Schranz, Bernd Michael Rode

Journal:

Angewandte Chemie International Edition

Year:

2004

Language:

english

File:

PDF, 107 KB

english, 2004

20

The influence of Li+, Na+, Mg2+, Ca2+, and Zn2+ ions on the hydrogen bonds of the Watson–Crick base pairs

Eugen H. S. Anwander, Michael M. Probst, Bernd M. Rode

Journal:

Year:

1990

Language:

english

File:

PDF, 927 KB

english, 1990

21

From Earth's Primitive Atmosphere to Chiral Peptides – The Origin of Precursors for Life

Kristof Plankensteiner, Hannes Reiner, Bernd M. Rode

Journal:

Chemistry & Biodiversity

Year:

2004

Language:

english

File:

PDF, 138 KB

english, 2004

22

The Possible Influence of L-Histidine on the Origin of the First Peptides on the Primordial Earth

Hannes Reiner, Kristof Plankensteiner, Daniel Fitz, Bernd Michael Rode

Journal:

Chemistry & Biodiversity

Year:

2006

Language:

english

File:

PDF, 124 KB

english, 2006

23

The First Steps of Chemical Evolution towards the Origin of Life

Bernd M. Rode, Daniel Fitz, Thomas Jakschitz

Journal:

Chemistry & Biodiversity

Year:

2007

Language:

english

File:

PDF, 926 KB

english, 2007

24

Structure and Dynamics of the Cd2+ Ion in Aqueous Solution: Ab Initio QM/MM Molecular Dynamics Simulation.

Chinapong Kritayakornupong, Kristof Plankensteiner, Bernd M. Rode

Journal:

Year:

2004

File:

PDF, 52 KB

2004

25

New Insights into the Jahn–Teller Effect through ab initio Quantum-Mechanical/Molecular-Mechanical Molecular Dynamics Simulations of CuII in Water

Christian F. Schwenk, Bernd M. Rode

Journal:

Year:

2003

Language:

english

File:

PDF, 260 KB

english, 2003

26

Cuii in Liquid Ammonia: An Approach by Hybrid Quantum-Mechanical/Molecular-Mechanical Molecular Dynamics Simulation

Christian F. Schwenk, Bernd M. Rode

Journal:

Year:

2004

Language:

english

File:

PDF, 170 KB

english, 2004

27

The Jahn–Teller Effect of the TiIII Ion in Aqueous Solution: Extended Ab Initio QM/MM Molecular Dynamics Simulations

Chinapong Kritayakornupong, Kristof Plankensteiner, Bernd M. Rode

Journal:

Year:

2004

Language:

english

File:

PDF, 454 KB

english, 2004

28

Functional mosaicism of the lymphocyte plasma membrane. II. Characterization of membrane subtractions of activated thymocytes

Harold N. Rode, Bernd Mähler, Alois Loracher, Klaus Resch

Journal:

European Journal of Immunology

Year:

1979

Language:

english

File:

PDF, 739 KB

english, 1979

29

Many-body effects on structure and dynamics of aqueous ionic solutions

Hannes H. Loeffler, Bernd M. Rode

Journal:

Journal of Computational Chemistry

Year:

2003

File:

PDF, 27 KB

2003

30

Characterization of dynamics and reactivities of solvated ions by ab initio simulations

Thomas S. Hofer, Hung T. Tran, Christian F. Schwenk, Bernd M. Rode

Journal:

Journal of Computational Chemistry

Year:

2004

Language:

english

File:

PDF, 558 KB

english, 2004

31

Calculation of sequence-dependent free energies of hydration of dipeptides formed by alanine and glycine

Hannes H. Loeffler, Christoph A. Sotriffer, Rudolf H. Winger, Klaus R. Liedl, Bernd M. Rode

Journal:

Journal of Computational Chemistry

Year:

2001

Language:

english

File:

PDF, 232 KB

english, 2001

32

Structure and dynamics of the Cr(III) ion in aqueous solution: Ab initio QM/MM molecular dynamics simulation

Chinapong Kritayakornupong, Kristof Plankensteiner, Bernd M. Rode

Journal:

Journal of Computational Chemistry

Year:

2004

Language:

english

File:

PDF, 202 KB

english, 2004

33

Structure-breaking effects of solvated Rb(I) in dilute aqueous solution—An ab initio QM/MM MD approach

Thomas S. Hofer, Bernhard R. Randolf, Bernd M. Rode

Journal:

Journal of Computational Chemistry

Year:

2005

Language:

english

File:

PDF, 198 KB

english, 2005

34

Quantum mechanical/molecular mechanical simulations of the Tl(III) ion in water

Viwat Vchirawongkwin, Thomas S. Hofer, Bernhard R. Randolf, Bernd M. Rode

Journal:

Journal of Computational Chemistry

Year:

2007

Language:

english

File:

PDF, 879 KB

english, 2007

35

Tl(I)-the strongest structure-breaking metal ion in water? A quantum mechanical/molecular mechanical simulation study

Viwat Vchirawongkwin, Thomas S. Hofer, Bernhard R. Randolf, Bernd M. Rode

Journal:

Journal of Computational Chemistry

Year:

2007

Language:

english

File:

PDF, 334 KB

english, 2007

36

Quantum mechanical charge field molecular dynamics simulation of the TiO2+ ion in aqueous solution

M. Qaiser Fatmi, Thomas S. Hofer, Bernhard R. Randolf, Bernd M. Rode

Journal:

Journal of Computational Chemistry

Year:

2007

Language:

english

File:

PDF, 438 KB

english, 2007

37

Structure and dynamics of phosphate ion in aqueous solution: An ab initio QMCF MD study

Andreas B. Pribil, Thomas S. Hofer, Bernhard R. Randolf, Bernd M. Rode

Journal:

Journal of Computational Chemistry

Year:

2008

Language:

english

File:

PDF, 450 KB

english, 2008

38

Ab Initio quantum mechanical charge field study of hydrated bicarbonate ion: Structural and dynamical properties

Viwat Vchirawongkwin, Andreas B. Pribil, Bernd M. Rode

Journal:

Journal of Computational Chemistry

Year:

2010

Language:

english

File:

PDF, 331 KB

english, 2010

39

Temperature dependence of structure and dynamics of the hydrated Ca2+ ion according to ab initio quantum mechanical charge field and classical molecular dynamics

Len Herald V. Lim, Andreas B. Pribil, Andreas E. Ellmerer, Bernhard R. Randolf, Bernd M. Rode

Journal:

Journal of Computational Chemistry

Year:

2010

Language:

english

File:

PDF, 252 KB

english, 2010

40

An ab initio quantum mechanical charge field molecular dynamics simulation of a dilute aqueous HCl solution

Chinapong Kritayakornupong, Viwat Vchirawongkwin, Bernd M. Rode

Journal:

Journal of Computational Chemistry

Year:

2010

Language:

english

File:

PDF, 579 KB

english, 2010

41

Structure and dynamics of methanol in water: A quantum mechanical charge field molecular dynamics study

Syed Tarique Moin, Thomas S. Hofer, Bernhard R. Randolf, Bernd M. Rode

Journal:

Journal of Computational Chemistry

Year:

2011

Language:

english

File:

PDF, 169 KB

english, 2011

42

Molecular modelling of polymers, 1. Prediction of critical values of oligomethylenes

Ton That Minh Tan, Bernd Michael Rode

Journal:

Macromolecular Theory and Simulations

Year:

1995

Language:

english

File:

PDF, 336 KB

english, 1995

43

Molecular modelling of polymers, 3. Prediction of glass transition temperatures of poly(acrylic acid), poly(methacrylic acid) and polyacrylamide derivatives

Ton That Minh Tan, Bernd Michael Rode

Journal:

Macromolecular Theory and Simulations

Year:

1996

Language:

english

File:

PDF, 421 KB

english, 1996

44

Ionic Solvation in formic acid, MO SCF calculations on solvated univalent ions

Journal:

Chemical Physics Letters

Year:

1973

Language:

english

File:

PDF, 416 KB

english, 1973

45

A “classical” chemical interpretation of the solvation reaction by means of localized indo molecular orbitals (ionic solvation in formic acid V)

Journal:

Chemical Physics Letters

Year:

1974

Language:

english

File:

PDF, 294 KB

english, 1974

46

Quantum chemical aspects of the chelate effect in complexes

Journal:

Chemical Physics Letters

Year:

1974

Language:

english

File:

PDF, 538 KB

english, 1974

47

A small gaussian basis set for non-empirical all-electron SCF calculations on iodine compounds

Journal:

Chemical Physics Letters

Year:

1974

Language:

english

File:

PDF, 433 KB

english, 1974

48

Low pressure gas phase solvation of metal ions. An experimental link to quantum chemical model calculations

Journal:

Chemical Physics Letters

Year:

1975

Language:

english

File:

PDF, 337 KB

english, 1975

49

Force constants, vibrational assignment and equilibrium geometry for isocyanic acid

Peter Botschwina, Edgar Nachbaur, Bernd M. Rode

Journal:

Chemical Physics Letters

Year:

1976

Language:

english

File:

PDF, 328 KB

english, 1976

50

The influence of small monovalent cations on neighbouring N…HO hydrogen bonds

Bernd M. Rode, Kritsana P. Sagarik

Journal:

Chemical Physics Letters

Year:

1982

Language:

english

File:

PDF, 304 KB

english, 1982