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1

Role of the Base in Buchwald–Hartwig Amination

Sunesson, Ylva, Limé, Elaine, Nilsson Lill, Sten O., Meadows, Rebecca E., Norrby, Per-Ola

Journal:

Journal of Organic Chemistry

Year:

2014

Language:

english

File:

PDF, 559 KB

english, 2014

2

Applications of Quantum Chemistry in Pharmaceutical Process Development: Current State and Opportunities

Lam, Yu-hong, Abramov, Yuriy A., Ananthula, Ravi, Elward, Jennifer, Hilden, Lori, Nilsson-Lill, Sten, Norrby, Per-Ola, Ramirez, Antonio, Sherer, Edward C., Mustakis, Jason, Tanoury, Gerald Joseph

Journal:

Organic Process Research & Development

Year:

2020

File:

PDF, 703 KB

2020

3

Solvated CH5+ in Liquid Superacid

Per Ahlberg, Annika Karlsson, Alain Goeppert, Sten O. Nilsson Lill, Peter Dinér, Jean Sommer

Journal:

Chemistry - A European Journal

Year:

2001

Language:

english

File:

PDF, 154 KB

english, 2001

4

Solvated CH5+ in Liquid Superacid

Per Ahlberg, Annika Karlsson, Alain Goeppert, Sten O. Nilsson Lill, Peter Dinér, Jean Sommer

Journal:

Chemistry - A European Journal

Year:

2001

File:

PDF, 34 KB

2001

5

A Novel Mixed Dimer of a Norephedrine-Derived Chiral Lithium Amide and 2-Lithium-1-methylimidazole, and Catalytic Enantioselective Deprotonation of Cyclohexene Oxide

Mohamed Amedjkouh, Daniel Pettersen, Sten O. Nilsson Lill, Öjvind Davidsson, Per Ahlberg

Journal:

Chemistry - A European Journal

Year:

2001

Language:

english

File:

PDF, 268 KB

english, 2001

6

Chemical Reactivity Controlled by Negative Hyperconjugation: A Theoretical Study

Sten O. Nilsson Lill, Guntram Rauhut, Ernst Anders

Journal:

Chemistry - A European Journal

Year:

2003

Language:

english

File:

PDF, 230 KB

english, 2003

7

On the Dichotomic Reactivity of Lithiated Styrene Oxide: A Computational and Multinuclear Magnetic Resonance Investigation

Vito Capriati, Saverio Florio, Filippo Maria Perna, Antonio Salomone, Alessandro Abbotto, Mohamed Amedjkouh, Sten O. Nilsson Lill

Journal:

Chemistry - A European Journal

Year:

2009

Language:

english

File:

PDF, 743 KB

english, 2009

8

tBu or not tBu?

Dr. Sten O. Nilsson Lill, Dr. Per Ryberg, Prof. Dr. Tobias Rein, Evelina Bennström, Prof. Dr. Per-Ola Norrby

Journal:

Chemistry - A European Journal

Year:

2012

Language:

english

File:

PDF, 1.25 MB

english, 2012

9

ChemInform Abstract: 2-(Lithiomethyl)-1-methylimidazole as a Non-reactive Bulk Base and Its Novel Mixed Dimer with a Chiral Lithium Amide in Catalytic Stereoselective Deprotonation.

Sten O. Nilsson Lill, Daniel Pettersen, Mohamed Amedjkouh, Per Ahlberg

Journal:

Year:

2002

File:

PDF, 28 KB

2002

10

ChemInform Abstract: Application of Q2MM to Stereoselective Reactions

Sten O. Nilsson Lill, Aaron Forbes, Patrick Donoghue, Vincenzo Verdolino, Olaf Wiest, Patrik Rydberg, Per-Ola Norrby

Journal:

Year:

2011

File:

PDF, 18 KB

2011

11

Carbon Dioxide Fixation by Lithium Amides: DFT Studies on the Reaction Mechanism of the Formation of Lithium Carbamates

Sten O. Nilsson Lill, Uwe Köhn, Ernst Anders

Journal:

European Journal of Organic Chemistry

Year:

2004

Language:

english

File:

PDF, 322 KB

english, 2004

12

Evaluation of dispersion-corrected density functional theory (B3LYP-DCP) for compounds of biochemical interest

Sten O. Nilsson Lill

Journal:

Journal of Molecular Graphics and Modelling

Year:

2010

Language:

english

File:

PDF, 743 KB

english, 2010

13

Investigation of site selectivity of the stereoselective deprotonation of cyclohexene oxide using kinetic resolution of isotopic enantiomers in natural abundance

Peter Dinér, Daniel Pettersen, Sten O. Nilsson Lill, Per Ahlberg

Journal:

Tetrahedron: Asymmetry

Year:

2005

Language:

english

File:

PDF, 200 KB

english, 2005

14

Computational study of solvation and stereoselectivity in deprotonation of cyclohexene oxide by a chiral lithium amide

Sten O. Nilsson Lill, Per I. Arvidsson, Per Ahlberg

Journal:

Tetrahedron: Asymmetry

Year:

1999

Language:

english

File:

PDF, 631 KB

english, 1999

15

The utility of molecular dynamics simulations for understanding site-directed mutagenesis of glycine residues in biotin carboxylase

Tee Bordelon, Sten O. Nilsson Lill, Grover L. Waldrop

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

2009

Language:

english

File:

PDF, 426 KB

english, 2009

16

Computational note on the dimerisation of lithium alkoxides

Sten O. Nilsson Lill

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2008

Language:

english

File:

PDF, 122 KB

english, 2008

17

Friedel–Crafts-type reactions with ureas and thioureas

Raja, Erum K., Nilsson Lill, Sten O., Klumpp, Douglas A.

Journal:

Chemical Communications

Year:

2012

Language:

english

File:

PDF, 495 KB

english, 2012

18

2-(Lithiomethyl)-1-methylimidazole as a non-reactive bulk base and its novel mixed dimer with a chiral lithium amide in catalytic stereoselective deprotonationElectronic supplementary information (ESI) available: 13C NMR spectra and PM3 enthalpies. See http://www.rsc.org/suppdata/p1/b1/b104336f/

Nilsson Lill, Sten O., Pettersen, Daniel, Amedjkouh, Mohamed, Ahlberg, Per

Journal:

Journal of the Chemical Society Perkin Transactions 1

Year:

2001

Language:

english

File:

PDF, 395 KB

english, 2001

19

Friedel–Crafts Acylation with Amides

Raja, Erum K., DeSchepper, Daniel J., Nilsson Lill, Sten O., Klumpp, Douglas A.

Journal:

Journal of Organic Chemistry

Year:

2012

Language:

english

File:

PDF, 483 KB

english, 2012

20

Transmetallation Versus β-Hydride Elimination: The Role of 1,4-Benzoquinone in Chelation-Controlled Arylation Reactions with Arylboronic Acids

Dr. Christian Sköld, Jonatan Kleimark, Alejandro Trejos, Dr. Luke R. Odell, Dr. Sten O. Nilsson Lill, Prof. Per-Ola Norrby, Prof. Mats Larhed

Journal:

Chemistry - A European Journal

Year:

2012

Language:

english

File:

PDF, 494 KB

english, 2012

21

ChemInform Abstract: Mild and Efficient Nickel-Catalyzed Heck Reactions with Electron-Rich Olefins.

Thomas M. Goegsig, Jonatan Kleimark, Sten O. Nilsson Lill, Signe Korsager, Anders T. Lindhardt, Per-Ola Norrby, Troels Skrydstrup

Journal:

Year:

2012

File:

PDF, 35 KB

2012

22

Aggregation and Solvation of Chiral N,P-Amide Ligands in Coordinating Solvents: A Computational and NMR Spectroscopic Study

Petra Rönnholm, Sten O. Nilsson Lill, Jürgen Gräfenstein, Per-Ola Norrby, Mariell Pettersson, Göran Hilmersson

Journal:

Year:

2012

Language:

english

File:

PDF, 428 KB

english, 2012

23

ChemInform Abstract: Friedel—Crafts Acylation with Amides.

Erum K. Raja, Daniel J. DeSchepper, Sten O. Nilsson Lill, Douglas A. Klumpp

Journal:

Year:

2012

Language:

english

File:

PDF, 41 KB

english, 2012

24

ChemInform Abstract: Friedel-Crafts-Type Reactions with Ureas and Thioureas.

Raja, Erum K., Lill, Sten O. Nilsson, Klumpp, Douglas A.

Journal:

Year:

2012

File:

PDF, 37 KB

2012

25

A computational study of the enantioselective addition of n-BuLi to benzaldehyde in the presence of a chiral lithium N,P amide

Rönnholm, Petra, Gräfenstein, Jürgen, Norrby, Per-Ola, Hilmersson, Göran, Nilsson Lill, Sten O.

Journal:

Organic & Biomolecular Chemistry

Year:

2012

Language:

english

File:

PDF, 1.16 MB

english, 2012

26

Mild and Efficient Nickel-Catalyzed Heck Reactions with Electron-Rich Olefins

Gøgsig, Thomas M., Kleimark, Jonatan, Nilsson Lill, Sten O., Korsager, Signe, Lindhardt, Anders T., Norrby, Per-Ola, Skrydstrup, Troels

Journal:

Journal of the American Chemical Society

Year:

2012

Language:

english

File:

PDF, 705 KB

english, 2012

27

Dicationic Ring-Opening Reactions of trans -2-Phenylcyclopropylamine·HCl: Electrophilic Cleavage of the Distal (C 2 –C 3 ) Bond of Cyclopropanes

Nilsson Lill, Sten O., Naredla, Rajasekhar Reddy, Zielinski, Matthew E., Knoecer, Larecia, Klumpp, Douglas A.

Journal:

Journal of Organic Chemistry

Year:

2013

Language:

english

File:

PDF, 438 KB

english, 2013

28

Kinetic and computational studies of the composition and structure of activated complexes in the asymmetric deprotonation of cyclohexene oxide by a norephedrine-derived chiral lithium amide†

Pettersen, Daniel, Amedjkouh, Mohamed, Nilsson Lill, Sten O., Dahlén, Kristian, Ahlberg, Per

Journal:

Journal of the Chemical Society Perkin Transactions 2

Year:

2001

Language:

english

File:

PDF, 349 KB

english, 2001

29

An Autocatalytic Mechanism for NiFe-Hydrogenase: Reduction to Ni(I) Followed by Oxidative Addition

Lill, Sten O. Nilsson, Siegbahn, Per E. M.

Journal:

Year:

2009

Language:

english

File:

PDF, 751 KB

english, 2009

30

Molecule VI: Sulfonimide or Sulfonamide?

Nilsson Lill, Sten O., Broo, Anders

Journal:

Crystal Growth & Design

Year:

2014

Language:

english

File:

PDF, 1.06 MB

english, 2014

31

Application of Dispersion-Corrected Density Functional Theory

Nilsson Lill, Sten O.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 166 KB

english, 2009

32

Molecular Dynamics Simulations of Biotin Carboxylase

Nilsson Lill, Sten O., Gao, Jiali, Waldrop, Grover L.

Journal:

Journal of Physical Chemistry B

Year:

2008

Language:

english

File:

PDF, 503 KB

english, 2008

33

Infrared Spectrum of Phosphoenol Pyruvate: Computational and Experimental Studies

Rudbeck, Maria E., Kumar, Saroj, Mroginski, Maria-Andrea, Lill, Sten O. Nilsson, Blomberg, Margareta R. A., Barth, Andreas

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 755 KB

english, 2009

34

Influence of the Molecular Environment on Phosphorylated Amino Acid Models: A Density Functional Theory Study

Rudbeck, Maria E., Nilsson Lill, Sten O., Barth, Andreas

Journal:

Journal of Physical Chemistry B

Year:

2012

Language:

english

File:

PDF, 2.35 MB

english, 2012

35

Charge Delocalization and Enhanced Acidity in Tricationic Superelectrophiles

Naredla, Rajasekhar Reddy, Zheng, Chong, Nilsson Lill, Sten O., Klumpp, Douglas A.

Journal:

Journal of the American Chemical Society

Year:

2011

Language:

english

File:

PDF, 1.31 MB

english, 2011

36

On the novel function of the additive DBU. Catalytic stereoselective deprotonation by a mixed dimer of lithiated DBU and a chiral lithium amide

Pettersen, Daniel, Amedjkouh, Mohamed, Nilsson Lill, Sten O., Ahlberg, Per

Journal:

Journal of the Chemical Society Perkin Transactions 2

Year:

2002

Language:

english

File:

PDF, 435 KB

english, 2002

37

On the dimerization of chlorophyll in photosystem II

Nilsson Lill, Sten O.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.74 MB

english, 2011

38

Stereoselective solvent induced 1,3-proton transfer of an allylic alkoxide to a homoallylic alkoxide catalysed by a chiral lithium amideElectronic supplementary information (ESI) available: 1H NMR, 1H,1H-COSY NMR and 1H,1H-NOESY NMR spectra of 6; 1H NMR spectra of 5 and (S)-2H-5; 2H NMR spectrum of (S)-2H-5. See http://www.rsc.org/suppdata/p2/b1/b111676b/

Hansson, Maria, Arvidsson, Per I., Lill, Sten O. Nilsson, Ahlberg, Per

Journal:

Journal of the Chemical Society Perkin Transactions 2

Year:

2002

Language:

english

File:

PDF, 144 KB

english, 2002

39

Organotrifluoroborates as attractive self-assembling systems: the case of bifunctional dipotassium phenylene-1,4-bis(trifluoroborate)

Falcicchio, Aurelia, Nilsson Lill, Sten O., Perna, Filippo M., Salomone, Antonio, Coppi, Donato I., Cuocci, Corrado, Stalke, Dietmar, Capriati, Vito

Journal:

Dalton Transactions

Year:

2015

Language:

english

File:

PDF, 1.19 MB

english, 2015

40

Application of Q2MM to Stereoselective Reactions

O. Nilsson Lill, Sten, Forbes, Aaron, Donoghue, Patrick, Verdolino, Vincenzo, Wiest, Olaf, Rydberg, Patrik, Norrby, Per-Ola

Journal:

Current Organic Chemistry

Year:

2010

Language:

english

File:

PDF, 585 KB

english, 2010

41

Transferable force field for crystal structure predictions, investigation of performance and exploration of different rescoring strategies using DFT-D methods

Broo, Anders, Nilsson Lill, Sten O.

Journal:

Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials

Year:

2016

Language:

english

File:

PDF, 532 KB

english, 2016

42

Tetra- and Pentacationic Electrophiles and Their Chemistry

Gasonoo, Makafui, Naredla, Rajasekhar Reddy, Nilsson Lill, Sten O., Klumpp, Douglas A.

Journal:

Journal of Organic Chemistry

Year:

2016

Language:

english

File:

PDF, 846 KB

english, 2016

43

Does Z′ equal 1 or 2? Enhanced powder NMR crystallography verification of a disordered room temperature crystal structure of a p38 inhibitor for chronic obstructive pulmonary disease

Widdifield, Cory M., Nilsson Lill, Sten O., Broo, Anders, Lindkvist, Maria, Pettersen, Anna, Svensk Ankarberg, Anna, Aldred, Peter, Schantz, Staffan, Emsley, Lyndon

Journal:

Physical Chemistry Chemical Physics

Year:

2017

Language:

english

File:

PDF, 3.63 MB

english, 2017

44

[Advances in Quantum Chemistry] A Tribute Volume in Honor of Professor Osvaldo Goscinski Volume 47 || Development of Chiral Catalysts for Stereoselective Synthesis by Deprotonations – Experimentation in Interplay with Computational Chemistry

Nilsson Lill, Sten O.

Year:

2004

Language:

english

File:

PDF, 544 KB

english, 2004

45

Elucidating an Amorphous Form Stabilization Mechanism for Tenapanor Hydrochloride: Crystal Structure Analysis using X-ray Diffraction, NMR Crystallography and Molecular Modelling

Nilsson Lill, Sten O., Widdifield, Cory M., Pettersen, Anna, Svensk Ankarberg, Anna, Lindkvist, Maria, Aldred, Peter, Gracin, Sandra, Shankland, Norman, Shankland, Kenneth, Schantz, Staffan, Emsley, L

Journal:

Molecular Pharmaceutics

Year:

2018

Language:

english

File:

PDF, 1.29 MB

english, 2018

46

Diels–Alder Reactions with Ethylene and Superelectrophiles

Vuong, Hien, Dash, Barada P., Nilsson Lill, Sten O., Klumpp, Douglas A.

Journal:

Organic Letters

Year:

2018

Language:

english

File:

PDF, 804 KB

english, 2018

47

Improving confidence in crystal structure solutions using NMR crystallography: the case of β-piroxicam

Tatton, Andrew S., Blade, Helen, Brown, Steven P., Hodgkinson, Paul, Hughes, Leslie P., Nilsson Lill, Sten, Yates, Jonathan R.

Journal:

Crystal Growth & Design

Year:

2018

Language:

english

File:

PDF, 1.47 MB

english, 2018

48

Utilizing crystal structures for predicting impact of mechanical and surface properties on particle fracture

Halme, Amanda, Quayle, Michael J., Nilsson Lill, Sten O., Pettersen, Anna, Fransson, Magnus, Boissier, Catherine

Journal:

Crystal Growth & Design

Year:

2019

Language:

english

File:

PDF, 1.78 MB

english, 2019

49

Mitigating punch sticking propensity of celecoxib by cocrystallization â an integrated computational and experimental approach

Wang, Chenguang, Paul, Shubhajit, Sun, David J., Nilsson Lill, Sten O., Sun, Changquan Calvin

Journal:

Crystal Growth & Design

Year:

2020

File:

PDF, 866 KB

2020

50

The crystal structure, morphology and mechanical properties of diaquabis(omeprazolate)magnesium dihydrate

Abouhakim, Hanane, Nilsson Lill, Sten O., Quayle, Michael J., Norberg, Stefan T., Hassanpour, Ali, Pask, Christopher M.

Journal:

Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials

Year:

2020

File:

PDF, 1.46 MB

2020