Azofra, Luis Miguel: search on Z-Library

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1

Theoretical study of the mutarotation of erythrose and threose: acid catalysis

Azofra, Luis Miguel, Alkorta, Ibon, Elguero, José

Journal:

Carbohydrate Research

Year:

2013

Language:

english

File:

PDF, 767 KB

english, 2013

2

Electro-synthesis of ammonia from nitrogen at ambient temperature and pressure in ionic liquids

Zhou, Fengling, Azofra, Luis Miguel, Ali, Muataz, Kar, Mega, Simonov, Alexandr N., McDonnell-Worth, Ciaran, Sun, Chenghua, Zhang, Xinyi, MacFarlane, Douglas R.

Journal:

Energy & Environmental Science

Year:

2017

Language:

english

File:

PDF, 3.11 MB

english, 2017

3

Ionic liquid electrolytes for reversible magnesium electrochemistry

Kar, Mega, Ma, Zheng, Azofra, Luis Miguel, Chen, Kun, Forsyth, Maria, MacFarlane, Douglas R.

Journal:

Chemical Communications

Year:

2016

Language:

english

File:

PDF, 1.79 MB

english, 2016

4

A theoretical reappraisal of the cyclol hypothesis

Ibon Alkorta, Goar Sánchez-Sanz, Cristina Trujillo, Luis Miguel Azofra, José Elguero

Journal:

Structural Chemistry

Year:

2012

Language:

english

File:

PDF, 517 KB

english, 2012

5

Understanding the Aldo-Enediolate Tautomerism of Glycolaldehyde in Basic Aqueous Solutions

Azofra, Luis Miguel, Quesada-Moreno, María Mar, Alkorta, Ibon, Avilés-Moreno, Juan Ramón, Elguero, José, López-González, Juan Jesús

Journal:

Year:

2015

Language:

english

File:

PDF, 1.64 MB

english, 2015

6

Hydrogen Evolution in [NiFe] Hydrogenases: A Case of Heterolytic Approach between Proton and Hydride

Qiu, Siyao, Azofra, Luis Miguel, Macfarlane, Douglas R., Sun, Chenghua

Journal:

Inorganic Chemistry

Year:

2019

File:

PDF, 2.83 MB

2019

7

Molybdenum on solid support materials for catalytic hydrogenation of N₂-into-NH₃

Cavallo, Luigi, Azofra, Luis Miguel, Morlanés, Natalia, Poater, Albert, Samantaray, Manoja K., Vidjayacoumar, Balamurugan, Albahily, Khalid, Basset, Jean-Marie

Journal:

Angewandte Chemie International Edition

Year:

2018

Language:

english

File:

PDF, 1.22 MB

english, 2018

8

Manganese-Catalyzed Multicomponent Synthesis of Pyrroles through Acceptorless Dehydrogenation Hydrogen Autotransfer Catalysis: Experiment and Computation

Borghs, Jannik C., Azofra, Luis Miguel, Biberger, Tobias, Linnenberg, Oliver, Cavallo, Luigi, Rueping, Magnus, El-Sepelgy, Osama

Journal:

Year:

2019

Language:

english

File:

PDF, 1.49 MB

english, 2019

9

Liquefied Sunshine: Transforming Renewables into Fertilizers and Energy Carriers with Electromaterials

MacFarlane, Douglas R., Choi, Jaecheol, Suryanto, Bryan H. R., Jalili, Rouhollah, Chatti, Manjunath, Azofra, Luis Miguel, Simonov, Alexandr N.

Journal:

Advanced Materials

Year:

2019

File:

PDF, 1.61 MB

2019

10

Ï/Ï Plasticity of NHCs on the RutheniumâPhosphine and RutheniumâYlidene Bonds in Olefin Metathesis Catalysts

Azofra, Luis Miguel, Vummaleti, Sai V. C., Zhang, Ziyun, Poater, Albert, Cavallo, Luigi

Journal:

Organometallics

Year:

2020

File:

PDF, 2.05 MB

2020

11

Conformational study of the open-chain and furanose structures of d-erythrose and d-threose

Luis Miguel Azofra, Ibon Alkorta, José Elguero, Paul L.A. Popelier

Journal:

Carbohydrate Research

Year:

2012

Language:

english

File:

PDF, 1.69 MB

english, 2012

12

A Rational Electrode-Electrolyte Design for Efficient Ammonia Electrosynthesis under Ambient Conditions

Suryanto, Bryan Harry Rahmat, Kang, Colin Suk Mo, Wang, Dabin, Xiao, Changlong, Zhou, Fengling, Azofra, Luis Miguel, Cavallo, Luigi, Zhang, Xinyi, Macfarlane, Douglas R.

Journal:

ACS Energy Letters

Year:

2018

Language:

english

File:

PDF, 1.37 MB

english, 2018

13

Energy efficient nitrogen reduction to ammonia at low overpotential in aqueous electrolyte under ambient conditions

Wang, Dabin, Azofra, Luis Miguel, Harb, Moussab, Cavallo, Luigi, Zhang, Xinyi, Suryanto, Bryan Harry Rahmat, MacFarlane, Douglas Robert

Journal:

Year:

2018

Language:

english

File:

PDF, 1.44 MB

english, 2018

14

A theoretical study of six-membered rings containing the –N=S–S=N– motif

Alkorta, Ibon, Azofra, Luis Miguel, Sánchez-Sanz, Goar, Elguero, José

Journal:

Structural Chemistry

Year:

2012

Language:

english

File:

PDF, 551 KB

english, 2012

15

Promising prospects for 2D d2-d4 M3C2 transition metal carbides (MXenes) in N2 capture and conversion into ammonia

Azofra, Luis Miguel, Li, Neng, MacFarlane, Doug, Sun, Chenghua

Journal:

Energy & Environmental Science

Year:

2016

Language:

english

File:

PDF, 1.39 MB

english, 2016

16

Unravelling the reaction mechanism for the Claisen–Tishchenko condensation catalysed by Mn(I)-PNN complexes: a DFT study

Azofra, Luis Miguel, Cavallo, Luigi

Journal:

Theoretica Chimica Acta

Year:

2019

Language:

english

File:

PDF, 1.05 MB

english, 2019

17

Liquefied Sunshine: Transforming Renewables into Fertilizers and Energy Carriers with Electromaterials

MacFarlane, Douglas R., Choi, Jaecheol, Suryanto, Bryan H. R., Jalili, Rouhollah, Chatti, Manjunath, Azofra, Luis Miguel, Simonov, Alexandr N.

Journal:

Advanced Materials

Year:

2019

Language:

english

File:

PDF, 1.61 MB

english, 2019

18

Complexation of n SO2 molecules (n = 1, 2, 3) with formaldehyde and thioformaldehyde

Azofra, Luis Miguel, Scheiner, Steve

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.61 MB

english, 2014

19

Quantifying electronic similarities between NHC-gold(I) complexes and their isolobal imidazolium precursors

Azofra, Luis Miguel, Veenboer, Rik, Falivene, Laura, Vummaleti, Sai Vikrama Chaitanya Vikrama Chaitanya, Poater, Albert, Nolan, Steven P, Cavallo, Luigi

Journal:

Physical Chemistry Chemical Physics

Year:

2019

Language:

english

File:

PDF, 2.16 MB

english, 2019

20

A Conceptual DFT Study of Phosphonate Dimers: Dianions Supported by H-Bonds

Azofra, Luis Miguel, Elguero, JosÃ©, Alkorta, Ibon

Journal:

Journal of Physical Chemistry A

Year:

2020

Language:

english

File:

PDF, 586 KB

english, 2020

21

Front Cover: Energy-Efficient Nitrogen Reduction to Ammonia at Low Overpotential in Aqueous Electrolyte under Ambient Conditions (ChemSusChem 19/2018)

Wang, Dabin, Azofra, Luis Miguel, Harb, Moussab, Cavallo, Luigi, Zhang, Xinyi, Suryanto, Bryan H. R., MacFarlane, Douglas R.

Journal:

Year:

2018

File:

PDF, 3.63 MB

2018

22

An exploration of the ozone dimer potential energy surface

Azofra, Luis Miguel, Alkorta, Ibon, Scheiner, Steve

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 691 KB

english, 2014

23

Energy-Efficient Nitrogen Reduction to Ammonia at Low Overpotential in Aqueous Electrolyte under Ambient Conditions

Wang, Dabin, Azofra, Luis Miguel, Harb, Moussab, Cavallo, Luigi, Zhang, Xinyi, Suryanto, Bryan H. R., MacFarlane, Douglas R.

Journal:

Year:

2018

Language:

english

File:

PDF, 636 KB

english, 2018

24

Substituent Effects in the Noncovalent Bonding of SO 2 to Molecules Containing a Carbonyl Group. The Dominating Role of the Chalcogen Bond

Azofra, Luis Miguel, Scheiner, Steve

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 1.83 MB

english, 2014

25

Towards an understanding of the CO2-philicity in glycine: Deepening into the CO2:Aminoacid interactions

Azofra, Luis Miguel

Journal:

Chemical Physics

Year:

2015

Language:

english

File:

PDF, 889 KB

english, 2015

26

Unraveling the Role of Ligands in the Hydrogen Evolution Mechanism Catalyzed by [NiFe] Hydrogenases

Qiu, Siyao, Azofra, Luis Miguel, MacFarlane, Douglas R., Sun, Chenghua

Journal:

Year:

2016

Language:

english

File:

PDF, 965 KB

english, 2016

27

Molybdenum on solid support materials for catalytic hydrogenation of N₂-into-NH₃

Cavallo, Luigi, Azofra, Luis Miguel, Morlanés, Natalia, Poater, Albert, Samantaray, Manoja K., Vidjayacoumar, Balamurugan, Albahily, Khalid, Basset, Jean-Marie

Journal:

Angewandte Chemie

Year:

2018

Language:

english

File:

PDF, 1.22 MB

english, 2018

28

Racemic alcohols to optically pure amine precursors enabled by catalyst dynamic kinetic resolution: experiment and computation

Azofra, Luis Miguel, Tran, Mai Anh, Zubar, Viktoriia, Cavallo, Luigi, Rueping, Magnus, El-Sepelgy, Osama

Journal:

Chemical Communications

Year:

2020

File:

PDF, 1.08 MB

2020

29

Modeling the mechanism of glycosylation reactions between ethanol, 1,2-ethanediol and methoxymethanol

Azofra, Luis Miguel, Alkorta, Ibon, Toro-Labbé, Alejandro, Elguero, José

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.71 MB

english, 2013

30

Use of Intralesional Voriconazole for the Treatment of Cutaneous Scedosporium apiospermum Infection

Azofra, Mariola Moreno, Somovilla, José Luis Peña, Porras, Miguel Carrascosa, Carrillo, Laura Hurtado, Pérez, Rafael Daroca

Journal:

Clinical Infectious Diseases

Year:

2010

Language:

english

File:

PDF, 5.69 MB

english, 2010

31

Unravelling the reaction mechanism for the Claisen–Tishchenko condensation catalysed by Mn(I)-PNN complexes: a DFT study

Azofra, Luis Miguel, Cavallo, Luigi

Journal:

Theoretica Chimica Acta

Year:

2019

File:

PDF, 1.05 MB

2019

32

A theoretical study of hemiacetal formation from the reaction of methanol with derivatives of CX3CHO (X = H, F, Cl, Br and I)

Luis Miguel Azofra, Ibon Alkorta, José Elguero

Journal:

Journal of Physical Organic Chemistry

Year:

2012

Language:

english

File:

PDF, 646 KB

english, 2012

33

A theoretical investigation of the CO2-philicity of amides and carbamides

Luis Miguel Azofra, Muhannad Altarsha…

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2013

Language:

english

File:

PDF, 441 KB

english, 2013

34

Noncovalent interactions in dimers and trimers of SO3and CO

Azofra, Luis Miguel, Alkorta, Ibon, Scheiner, Steve

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2014

Language:

english

File:

PDF, 613 KB

english, 2014

35

Highly Chemo- and Stereoselective Transfer Semihydrogenation of Alkynes Catalyzed by a Stable, Well-defined Manganese(II) Complex

Brzozowska, Aleksandra, Azofra, Luis Miguel, Zubar, Viktoriia, Atodiresei, Iuliana, Cavallo, Luigi, Rueping, Magnus, El-Sepelgy, Osama

Journal:

Year:

2018

Language:

english

File:

PDF, 435 KB

english, 2018

36

Stabilisation of dianion dimers trapped inside cyanostar macrocycles

Azofra, Luis Miguel, Elguero, JosÃ©, Alkorta, Ibon

Journal:

Physical Chemistry Chemical Physics

Year:

2020

File:

PDF, 1.66 MB

2020

37

An intensified π-hole in beryllium-doped boron nitride meshes: its determinant role in CO 2 conversion into hydrocarbon fuels

Azofra, Luis Miguel, MacFarlane, Douglas R., Sun, Chenghua

Journal:

Chemical Communications

Year:

2016

Language:

english

File:

PDF, 1.85 MB

english, 2016

38

Publisher's Note: “An exploration of the ozone dimer potential energy surface” [J. Chem. Phys. 140, 244311 (2014)]

Azofra, Luis Miguel, Alkorta, Ibon, Scheiner, Steve

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 262 KB

english, 2014

39

Feasibility of N 2 Binding and Reduction to Ammonia on Fe-Deposited MoS 2 2D Sheets: A DFT Study

Azofra, Luis Miguel, Sun, Chenghua, Cavallo, Luigi, MacFarlane, Douglas R.

Journal:

Chemistry - A European Journal

Year:

2017

Language:

english

File:

PDF, 821 KB

english, 2017

40

A DFT study of planar vs. corrugated graphite-like carbon nitride (g-C3N4) and their role in the catalytic performance of CO2 conversion

Azofra, Luis Miguel, MacFarlane, Doug, Sun, Chenghua

Journal:

Physical Chemistry Chemical Physics

Year:

2016

Language:

english

File:

PDF, 1.41 MB

english, 2016

41

Berichtigung: Molybdenum on Solid Support Materials for Catalytic Hydrogenation of N 2 ‐into‐NH 3

Azofra, Luis Miguel, Morlanés, Natalia, Poater, Albert, Samantaray, Manoja K., Vidjayacoumar, Balamurugan, Albahily, Khalid, Cavallo, Luigi, Basset, Jean‐Marie

Journal:

Angewandte Chemie

Year:

2019

File:

PDF, 354 KB

2019

42

Theoretical studies of parent 1-, 2-, 3-pyrazolines and their methylated derivatives

Fernando Blanco, David G. Lloyd, Luis Miguel Azofra, Ibon Alkorta…

Journal:

Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 811 KB

english, 2013

43

Hydrogen-bonding effect between active site and protein environment on catalysis performance in H2-producing [NiFe] hydrogenases

Qiu, Siyao, Azofra, Luis Miguel, MacFarlane, Doug, Sun, Chenghua

Journal:

Physical Chemistry Chemical Physics

Year:

2018

Language:

english

File:

PDF, 1.34 MB

english, 2018

44

Diastereoselective diazenyl formation: the key for manganese-catalysed alcohol conversion into ( E )-alkenes

Azofra, Luis Miguel, Poater, Albert

Journal:

Dalton Transactions

Year:

2019

Language:

english

File:

PDF, 1.92 MB

english, 2019

45

Conformational Preference and Chiroptical Response of Carbohydrates d -Ribose and 2-Deoxy- d -ribose in Aqueous and Solid Phases

Quesada-Moreno, María Mar, Azofra, Luis Miguel, Avilés-Moreno, Juan Ramón, Alkorta, Ibon, Elguero, José, López-González, Juan Jesús

Journal:

Journal of Physical Chemistry B

Year:

2013

Language:

english

File:

PDF, 2.65 MB

english, 2013

46

Hydrogen Evolution in [NiFe] Hydrogenases: A Case of Heterolytic Approach between Proton and Hydride

Qiu, Siyao, Azofra, Luis Miguel, Macfarlane, Douglas R., Sun, Chenghua

Journal:

Inorganic Chemistry

Year:

2019

Language:

english

File:

PDF, 2.83 MB

english, 2019

47

Manganese-Catalyzed Regioselective Dehydrogenative C- versus N-Alkylation Enabled by a Solvent Switch: Experiment and Computation

Borghs, Jannik C., Zubar, Viktoriia, Azofra, Luis Miguel, Sklyaruk, Jan, Rueping, Magnus

Journal:

Organic Letters

Year:

2020

File:

PDF, 1.24 MB

2020

48

In silico design of novel NRR electrocatalysts: cobaltâmolybdenum alloys

Castellano-Varona, Blanca, Harb, Moussab, AraÃ±a, Javier, Cavallo, Luigi, Azofra, Luis Miguel

Journal:

Chemical Communications

Year:

2020

File:

PDF, 2.27 MB

2020

49

Not always HIV

Mariola Moreno Azofra, José Luis Peña Somovilla, Miguel Carrascosa Porras, Laura Hurtado Carrillo, Rafael Daroca Pérez

Journal:

The Lancet Infectious Diseases

Year:

2009

Language:

english

File:

PDF, 138 KB

english, 2009

50

Role of Oxidized Mo Species on the Active Surface of NiâMo Electrocatalysts for Hydrogen Evolution under Alkaline Conditions

Bau, Jeremy A., Kozlov, Sergey M., Azofra, Luis Miguel, Ould-Chikh, Samy, Emwas, Abdul-Hamid, Idriss, Hicham, Cavallo, Luigi, Takanabe, Kazuhiro

Journal:

Year:

2020

File:

PDF, 2.68 MB

2020

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