Sandra Luber: search on Z-Library

The world's largest scientific articles store. 70,000,000+ articles for free.

Don't use scam websites

1

On the direct calculation of the free energy of quantization for molecular systems in the condensed phase

Daan P. Geerke, Sandra Luber, Koni H. Marti, Wilfred F. Van Gunsteren

Journal:

Journal of Computational Chemistry

Year:

2009

Language:

english

File:

PDF, 320 KB

english, 2009

2

Electromagnetic fields in relativistic one-particle equations

Sandra Luber, Irina Malkin Ondík, Markus Reiher

Journal:

Chemical Physics

Year:

2009

Language:

english

File:

PDF, 325 KB

english, 2009

3

Intensity tracking for theoretical infrared spectroscopy of large molecules

Luber, Sandra, Neugebauer, Johannes, Reiher, Markus

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.79 MB

english, 2009

4

Understanding the Signatures of Secondary-Structure Elements in Proteins with Raman Optical Activity Spectroscopy

Christoph R. Jacob, Sandra Luber, Markus Reiher

Journal:

Chemistry - A European Journal

Year:

2009

Language:

english

File:

PDF, 952 KB

english, 2009

5

Calculated Raman Optical Activity Signatures of Tryptophan Side Chains

Christoph R. Jacob, Sandra Luber, Markus Reiher

Journal:

Year:

2008

Language:

english

File:

PDF, 243 KB

english, 2008

6

Intensity-Carrying Modes in Raman and Raman Optical Activity Spectroscopy

Sandra Luber, Markus Reiher

Journal:

Year:

2009

Language:

english

File:

PDF, 447 KB

english, 2009

7

Prediction of Raman Optical Activity Spectra of Chiral 3-Acetylcamphorato-Cobalt Complexes

Sandra Luber, Markus Reiher

Journal:

Year:

2010

Language:

english

File:

PDF, 601 KB

english, 2010

8

Raman optical activity spectra of chiral transition metal complexes

Sandra Luber, Markus Reiher

Journal:

Chemical Physics

Year:

2008

Language:

english

File:

PDF, 1.73 MB

english, 2008

9

Biomarker analysis of cetuximab plus oxaliplatin/leucovorin/5-fluorouracil in first-line metastatic gastric and oesophago-gastric junction cancer: results from a phase II trial of the Arbeitsgemeinschaft Internistische Onkologie (AIO)

Birgit Luber, Joëlle Deplazes, Gisela Keller, Axel Walch, Sandra Rauser, Martin Eichmann, Rupert Langer, Heinz Höfler, Susanna Hegewisch-Becker, Gunnar Folprecht, Ewald Wöll, Thomas Decker, Esther End

Journal:

Year:

2011

Language:

english

File:

PDF, 249 KB

english, 2011

10

Tumour-associated E-cadherin mutations alter cellular morphology, decrease cellular adhesion and increase cellular motility

Handschuh, Gabriele, Candidus, Sonja, Luber, Birgit, Reich, Ulrike, Schott, Christina, Oswald, Sandra, Becke, Helma, Hutzler, Peter, Birchmeier, Walter, Höfler, Heinz

Journal:

Year:

1999

Language:

english

File:

PDF, 496 KB

english, 1999

11

MOVIPAC: Vibrational spectroscopy with a robust meta-program for massively parallel standard and inverse calculations

Thomas Weymuth, Moritz P. Haag, Karin Kiewisch, Sandra Luber, Stephan Schenk, Christoph R. Jacob, Carmen Herrmann, Johannes Neugebauer, Markus Reiher

Journal:

Journal of Computational Chemistry

Year:

2012

Language:

english

File:

PDF, 773 KB

english, 2012

12

Relevance of MET activation and genetic alterations ofKRASand E-cadherin for cetuximab sensitivity of gastric cancer cell lines

Stefan Heindl, Evelyn Eggenstein, Simone Keller, Julia Kneissl, Gisela Keller, Kathrin Mutze, Sandra Rauser, Georg Gasteiger, Ingo Drexler, Alexander Hapfelmeier, Heinz Höfler, Birgit Luber

Journal:

Journal of Cancer Research and Clinical Oncology

Year:

2012

Language:

english

File:

PDF, 929 KB

english, 2012

13

Two-dimensional and pulsed Doppler echocardiography in anomalous origin of the left coronary artery from the pulmonary artery: Pre and postoperative studies

Shmuel Diamant, John M. Luber Jr., Sandra C. Brunson, Norman Gootman

Journal:

American Heart Journal

Year:

1987

Language:

english

File:

PDF, 3.71 MB

english, 1987

14

Analysis of Secondary Structure Effects on the IR and Raman Spectra of Polypeptides in Terms of Localized Vibrations

Jacob, Christoph R., Luber, Sandra, Reiher, Markus

Journal:

Journal of Physical Chemistry B

Year:

2009

Language:

english

File:

PDF, 3.60 MB

english, 2009

15

Relevance of the Electric-Dipole−Electric-Quadrupole Contribution to Raman Optical Activity Spectra

Luber, Sandra, Herrmann, Carmen, Reiher, Markus

Journal:

Journal of Physical Chemistry B

Year:

2008

Language:

english

File:

PDF, 340 KB

english, 2008

16

Solvent Effects in Calculated Vibrational Raman Optical Activity Spectra of α-Helices

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 595 KB

english, 2013

17

Photoinduced Proton Coupled Electron Transfer in 2-(2′-Hydroxyphenyl)-Benzothiazole

Luber, Sandra, Adamczyk, Katrin, Nibbering, Erik T. J., Batista, Victor S.

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 975 KB

english, 2013

18

Structural–Functional Role of Chloride in Photosystem II

Rivalta, Ivan, Amin, Muhamed, Luber, Sandra, Vassiliev, Serguei, Pokhrel, Ravi, Umena, Yasufumi, Kawakami, Keisuke, Shen, Jian-Ren, Kamiya, Nobuo, Bruce, Doug, Brudvig, Gary W., Gunner, M. R., Batista

Journal:

Year:

2011

Language:

english

File:

PDF, 2.60 MB

english, 2011

19

Closer to Photosystem II: A Co 4 O 4 Cubane Catalyst with Flexible Ligand Architecture

Evangelisti, Fabio, Güttinger, Robin, Moré, René, Luber, Sandra, Patzke, Greta R.

Journal:

Journal of the American Chemical Society

Year:

2013

Language:

english

File:

PDF, 469 KB

english, 2013

20

S 1 -State Model of the O 2 -Evolving Complex of Photosystem II

Luber, Sandra, Rivalta, Ivan, Umena, Yasufumi, Kawakami, Keisuke, Shen, Jian-Ren, Kamiya, Nobuo, Brudvig, Gary W., Batista, Victor S.

Journal:

Year:

2011

Language:

english

File:

PDF, 751 KB

english, 2011

21

Calculated Raman Optical Activity Spectra of 1,6-Anhydro-β- d -glucopyranose

Luber, Sandra, Reiher, Markus

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 3.28 MB

english, 2009

22

Structural Information on the Au–S Interface of Thiolate-Protected Gold Clusters: A Raman Spectroscopy Study

Varnholt, Birte, Oulevey, Patric, Luber, Sandra, Kumara, Chanaka, Dass, Amala, Bürgi, Thomas

Journal:

The Journal of Physical Chemistry C

Year:

2014

Language:

english

File:

PDF, 2.17 MB

english, 2014

23

Correction to “Calculated Raman Optical Activity Spectra of 1,6-Anhydro-β- d -glucopyranose”

Luber, Sandra, Reiher, Markus

Journal:

Journal of Physical Chemistry A

Year:

2009

File:

PDF, 17 KB

2009

24

Ultrafast Branching of Reaction Pathways in 2-(2′-Hydroxyphenyl)benzothiazole in Polar Acetonitrile Solution

Mohammed, Omar F., Luber, Sandra, Batista, Victor S., Nibbering, Erik T. J.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 3.24 MB

english, 2011

25

Theoretical Raman Optical Activity Study of the β Domain of Rat Metallothionein

Luber, Sandra, Reiher, Markus

Journal:

Journal of Physical Chemistry B

Year:

2010

Language:

english

File:

PDF, 2.32 MB

english, 2010

26

Where does the Raman optical activity of [Rh(en) 3 ] 3+ come from? Insight from a combined experimental and theoretical approach

Humbert-Droz, Marie, Oulevey, Patric, Lawson Daku, Latévi Max, Luber, Sandra, Hagemann, Hans, Bürgi, Thomas

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 3.35 MB

english, 2014

27

Raman spectra from ab initio molecular dynamics and its application to liquid S-methyloxirane

Luber, Sandra, Iannuzzi, Marcella, Hutter, Jürg

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 734 KB

english, 2014

28

Local electric dipole moments for periodic systems via density functional theory embedding

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 876 KB

english, 2014

29

Enhancement and de-enhancement effects in vibrational resonance Raman optical activity

Luber, Sandra, Neugebauer, Johannes, Reiher, Markus

Journal:

The Journal of Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.59 MB

english, 2010

30

Homogeneous Photochemical Water Oxidation with Cobalt Chloride in Acidic Media

Liu, Hongfei, Schilling, Mauro, Yulikov, Maxim, Luber, Sandra, Patzke, Greta R.

Journal:

Year:

2015

Language:

english

File:

PDF, 1.16 MB

english, 2015

31

Non-innocent adsorption of Co-pyrphyrin on rutile(110)

Gurdal, Yeliz, Luber, Sandra, Hutter, Jürg, Iannuzzi, Marcella

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 2.71 MB

english, 2015

32

3d-4f {Co II3 Ln(OR) 4 } Cubanes as Bio-Inspired Water Oxidation Catalysts

Evangelisti, Fabio, More, Rene, Hodel, Florian, Luber, Sandra, Patzke, Greta R.

Journal:

Journal of the American Chemical Society

Year:

2015

Language:

english

File:

PDF, 2.12 MB

english, 2015

33

What Influences the Water Oxidation Activity of a Bio-Inspired Molecular Co II4 O 4 Cubane? An In-Depth Exploration of Catalytic Pathways

Hodel, Florian, Luber, Sandra

Journal:

Year:

2016

Language:

english

File:

PDF, 14.94 MB

english, 2016

34

Electronic communication in phosphine substituted bridged dirhenium complexes – clarifying ambiguities raised by the redox non-innocence of the C 4 H 2 - and C 4 -bridges

Li, Yan, Blacque, Olivier, Fox, Thomas, Luber, Sandra, Polit, Walther, Winter, Rainer F., Venkatesan, Koushik, Berke, Heinz

Journal:

Dalton Transactions

Year:

2016

Language:

english

File:

PDF, 2.43 MB

english, 2016

35

Computational Investigation and Design of Cobalt Aqua Complexes for Homogeneous Water Oxidation

Schilling, Mauro, Patzke, Greta R., Hutter, Jürg, Luber, Sandra

Journal:

The Journal of Physical Chemistry C

Year:

2016

Language:

english

File:

PDF, 1.76 MB

english, 2016

36

Intensity Tracking for Vibrational Spectra of Large Molecules

Kiewisch, Karin, Luber, Sandra, Neugebauer, Johannes, Reiher, Markus

Journal:

CHIMIA International Journal for Chemistry

Year:

2009

Language:

english

File:

PDF, 316 KB

english, 2009

37

Symmetry Breaking in Chiral Ionic Liquids Evidenced by Vibrational Optical Activity

Oulevey, Patric, Luber, Sandra, Varnholt, Birte, Bürgi, Thomas

Journal:

Angewandte Chemie International Edition

Year:

2016

Language:

english

File:

PDF, 2.45 MB

english, 2016

38

Redox-Inert Cations Enhancing Water Oxidation Activity: The Crucial Role of Flexibility

Hodel, Florian H., Luber, Sandra

Journal:

Year:

2016

Language:

english

File:

PDF, 27.01 MB

english, 2016

39

Ruthenium water oxidation catalysts containing the non-planar tetradentate ligand, biisoquinoline dicarboxylic acid (biqaH2)

Scherrer, Dominik, Schilling, Mauro, Luber, Sandra, Fox, Thomas, Bernhard, Spingler, Alberto, Roger, Richmond, Craig John

Journal:

Dalton Transactions

Year:

2016

Language:

english

File:

PDF, 1.03 MB

english, 2016

40

Sum Frequency Generation of Acetonitrile on a Rutile (110) Surface from Density Functional Theory-Based Molecular Dynamics

Journal:

The Journal of Physical Chemistry Letters

Year:

2016

Language:

english

File:

PDF, 1.42 MB

english, 2016

41

Raman Optical Activity Spectra from Density Functional Perturbation Theory and Density-Functional-Theory-Based Molecular Dynamics

Journal:

Journal of Chemical Theory and Computation

Year:

2017

Language:

english

File:

PDF, 459 KB

english, 2017

42

Dehydrogenation Free Energy of Co 2+ (aq) from Density Functional Theory-Based Molecular Dynamics

Hodel, Florian H., Luber, Sandra

Journal:

Journal of Chemical Theory and Computation

Year:

2017

Language:

english

File:

PDF, 8.89 MB

english, 2017

43

Exploring Solvation Effects in Ligand-Exchange Reactions via Static and Dynamic Methods

Hodel, Florian H., Deglmann, Peter, Luber, Sandra

Journal:

Journal of Chemical Theory and Computation

Year:

2017

Language:

english

File:

PDF, 2.40 MB

english, 2017

44

Symmetriebruch in chiralen ionischen Flüssigkeiten: Nachweis durch vibratorisch-optische Aktivität

Oulevey, Patric, Luber, Sandra, Varnholt, Birte, Bürgi, Thomas

Journal:

Angewandte Chemie

Year:

2016

Language:

german

File:

PDF, 1.90 MB

german, 2016

45

Discovery of open cubane-core Structures for biomimetic {LnCo3(OR)4} Water Oxidation Catalysts

Luber, Sandra, Schilling, Mauro, Hodel, Florian

Journal:

Year:

2017

Language:

english

File:

PDF, 21.18 MB

english, 2017

46

Exploring Raman optical activity for transition metals: From coordination compounds to solids

Journal:

Biomedical Spectroscopy and Imaging

Year:

2015

Language:

english

File:

PDF, 286 KB

english, 2015

47

Exploring the Limitation of Molecular Water Oxidation Catalysts

Busch, Michael, Fabrizio, Alberto, Luber, Sandra, Hutter, Jürg, Corminboeuf, Clemence

Journal:

The Journal of Physical Chemistry C

Year:

2018

Language:

english

File:

PDF, 2.15 MB

english, 2018

48

Towards the rational design of the Py5-ligand framework for ruthenium-based water oxidation catalysts

Schilling, Mauro, Böhler, Michael, Luber, Sandra

Journal:

Dalton Transactions

Year:

2018

Language:

english

File:

PDF, 2.17 MB

english, 2018

49

Computational Modeling of Cobalt-Based Water Oxidation: Current Status and Future Challenges

Schilling, Mauro, Luber, Sandra

Journal:

Frontiers in Chemistry

Year:

2018

Language:

english

File:

PDF, 3.99 MB

english, 2018

50

Dynamic ab initio Methods for Vibrational Spectroscopy

Journal:

CHIMIA International Journal for Chemistry

Year:

2018

Language:

english

File:

PDF, 237 KB

english, 2018