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1

Fundamental Thermochemical Properties of Ammonia Borane and Dehydrogenated Derivatives (BNH n , n = 0−6)

Matus, Myrna H., Grant, Daniel J., Nguyen, Minh Tho, Dixon, David A.

Journal:

The Journal of Physical Chemistry C

Année:

2009

Langue:

english

Fichier:

PDF, 109 KB

english, 2009

2

Basis set effects on frontier molecular orbital energies and energy gaps: A comparative study between plane waves and localized basis functions in molecular systems

Matus, Myrna H., Garza, Jorge, Galván, Marcelo

Journal:

The Journal of Chemical Physics

Année:

2004

Langue:

english

Fichier:

PDF, 247 KB

english, 2004

3

Study on the interactions between [BMIM][SCN] and naphtalene/dibenzothiophene: A theory-experiment comparison

Manzanilla, Brenda, DomÃnguez, Zaira, DomÃnguez-Esquivel, JosÃ© Manuel, Salas-Reyes, Magali, Matus, Myrna H.

Journal:

Journal of Molecular Structure

Année:

2020

Fichier:

PDF, 1.70 MB

2020

4

Acid Initiation of Ammonia–Borane Dehydrogenation for Hydrogen Storage

Frances H. Stephens, R. Tom Baker, Myrna H. Matus, Daniel J. Grant, David A. Dixon

Journal:

Angewandte Chemie

Année:

2007

Langue:

english

Fichier:

PDF, 111 KB

english, 2007

5

Titelbild: Acid Initiation of Ammonia–Borane Dehydrogenation for Hydrogen Storage (Angew. Chem. 5/2007)

Frances H. Stephens, R. Tom Baker, Myrna H. Matus, Daniel J. Grant, David A. Dixon

Journal:

Angewandte Chemie

Année:

2007

Langue:

german

Fichier:

PDF, 145 KB

german, 2007

6

A Hybrid Organic/Inorganic Benzene

Adam J. V. Marwitz, Myrna H. Matus, Lev N. Zakharov, David A. Dixon, Shih-Yuan Liu

Journal:

Angewandte Chemie

Année:

2009

Langue:

english

Fichier:

PDF, 462 KB

english, 2009

7

Efficient Regeneration of Partially Spent Ammonia Borane Fuel

Benjamin L. Davis, David A. Dixon, Edward B. Garner, John C. Gordon, Myrna H. Matus, Brian Scott, Frances H. Stephens

Journal:

Angewandte Chemie

Année:

2009

Langue:

english

Fichier:

PDF, 723 KB

english, 2009

8

Acid Initiation of Ammonia–Borane Dehydrogenation for Hydrogen Storage

Frances H. Stephens, R. Tom Baker, Myrna H. Matus, Daniel J. Grant, David A. Dixon

Journal:

Angewandte Chemie International Edition

Année:

2007

Langue:

english

Fichier:

PDF, 111 KB

english, 2007

9

Cover Picture: Acid Initiation of Ammonia–Borane Dehydrogenation for Hydrogen Storage (Angew. Chem. Int. Ed. 5/2007)

Frances H. Stephens, R. Tom Baker, Myrna H. Matus, Daniel J. Grant, David A. Dixon

Journal:

Angewandte Chemie International Edition

Année:

2007

Langue:

english

Fichier:

PDF, 145 KB

english, 2007

10

A Hybrid Organic/Inorganic Benzene

Adam J. V. Marwitz, Myrna H. Matus, Lev N. Zakharov, David A. Dixon, Shih-Yuan Liu

Journal:

Angewandte Chemie International Edition

Année:

2009

Langue:

english

Fichier:

PDF, 462 KB

english, 2009

11

Efficient Regeneration of Partially Spent Ammonia Borane Fuel

Benjamin L. Davis, David A. Dixon, Edward B. Garner, John C. Gordon, Myrna H. Matus, Brian Scott, Frances H. Stephens

Journal:

Angewandte Chemie International Edition

Année:

2009

Langue:

english

Fichier:

PDF, 723 KB

english, 2009

12

Gas-phase acidities of aspartic acid, glutamic acid, and their amino acid amides

Zhong Li, Myrna H. Matus, Hector Adam Velazquez, David A. Dixon, Carolyn J. Cassady

Journal:

International Journal of Mass Spectrometry

Année:

2007

Langue:

english

Fichier:

PDF, 657 KB

english, 2007

13

Conformational study of caffeic acid derivatives

Myrna H. Matus, Zaira Domínguez, Magali Salas-Reyes, Javier Hernández, Samuel Cruz-Sánchez

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

2010

Langue:

english

Fichier:

PDF, 1.04 MB

english, 2010

14

Coupled-cluster study of the electronic structure and energetics of tetrasulfur, S[sub 4]

Matus, Myrna H., Dixon, David A., Peterson, Kirk A., Harkless, John A. W., Francisco, Joseph S.

Journal:

The Journal of Chemical Physics

Année:

2007

Langue:

english

Fichier:

PDF, 388 KB

english, 2007

15

Relationship between local reactivity indices and the hammett constant for isatoic anhydride and its derivatives

José S. Durand-Niconoff, Luis Cruz-Kuri, Jesús S. Cruz-Sánchez, Myrna H. Matus, Fernando R. Ramos-Morales

Journal:

International Journal of Quantum Chemistry

Année:

2012

Langue:

english

Fichier:

PDF, 139 KB

english, 2012

16

Thermodynamic Properties of the XO 2 , X 2 O, XYO, X 2 O 2 , and XYO 2 (X, Y = Cl, Br, and I) Isomers

Grant, Daniel J., Garner, Edward B., Matus, Myrna H., Nguyen, Minh Tho, Peterson, Kirk A., Francisco, Joseph S., Dixon, David A.

Journal:

Journal of Physical Chemistry A

Année:

2010

Langue:

english

Fichier:

PDF, 375 KB

english, 2010

17

Thermochemistry and Electronic Structure of Small Boron and Boron Oxide Clusters and Their Anions

Nguyen, Minh Tho, Matus, Myrna H., Ngan, Vu Thi, Grant, Daniel J., Dixon, David A.

Journal:

Journal of Physical Chemistry A

Année:

2009

Langue:

english

Fichier:

PDF, 1.02 MB

english, 2009

18

Fundamental Thermochemical Properties of Amino Acids: Gas-Phase and Aqueous Acidities and Gas-Phase Heats of Formation

Stover, Michele L., Jackson, Virgil E., Matus, Myrna H., Adams, Margaret A., Cassady, Carolyn J., Dixon, David A.

Journal:

Journal of Physical Chemistry B

Année:

2012

Langue:

english

Fichier:

PDF, 2.69 MB

english, 2012

19

Wave function instabilities in the cis–trans isomerization and singlet–triplet energy gaps in a push–pull compound

Matus, Myrna H., Contreras, Renato, Cedillo, Andrés, Galván, Marcelo

Journal:

The Journal of Chemical Physics

Année:

2003

Langue:

english

Fichier:

PDF, 546 KB

english, 2003

20

ClClO 2 Is the Most Stable Isomer of Cl 2 O 2 . Accurate Coupled Cluster Energetics and Electronic Spectra of Cl 2 O 2 Isomers

Matus, Myrna H., Nguyen, Minh T., Dixon, David A., Peterson, Kirk A., Francisco, Joseph S.

Journal:

Journal of Physical Chemistry A

Année:

2008

Langue:

english

Fichier:

PDF, 193 KB

english, 2008

21

Dehydrogenation Reactions of Cyclic C 2 B 2 N 2 H 12 and C 4 BNH 12 Isomers

Matus, Myrna H., Liu, Shih-Yuan, Dixon, David A.

Journal:

Journal of Physical Chemistry A

Année:

2010

Langue:

english

Fichier:

PDF, 3.44 MB

english, 2010

22

Computational Study of the Release of H 2 from Ammonia Borane Dimer (BH 3 NH 3 ) 2 and Its Ion Pair Isomers

Nguyen, Vinh Son, Matus, Myrna H., Grant, Daniel J., Nguyen, Minh Tho, Dixon, David A.

Journal:

Journal of Physical Chemistry A

Année:

2007

Langue:

english

Fichier:

PDF, 849 KB

english, 2007

23

Molecular Mechanism for H 2 Release from BH 3 NH 3 , Including the Catalytic Role of the Lewis Acid BH 3

Nguyen, Minh Tho, Nguyen, Vinh Son, Matus, Myrna H., Gopakumar, G., Dixon, David A.

Journal:

Journal of Physical Chemistry A

Année:

2007

Langue:

english

Fichier:

PDF, 557 KB

english, 2007

24

Energetics and Mechanism of the Decomposition of Trifluoromethanol

Nguyen, Minh Tho, Matus, Myrna H., Ngan, Vu Thi, Haiges, Ralf, Christe, Karl O., Dixon, David A.

Journal:

Journal of Physical Chemistry A

Année:

2008

Langue:

english

Fichier:

PDF, 744 KB

english, 2008

25

Heats of Formation of Boron Hydride Anions and Dianions and Their Ammonium Salts [B n H m y - ][NH 4+ ] y with y = 1−2

Nguyen, Minh Tho, Matus, Myrna H., Dixon, David A.

Journal:

Inorganic Chemistry

Année:

2007

Langue:

english

Fichier:

PDF, 223 KB

english, 2007

26

Electrochemical Oxidation of Symmetrical Amides of Ferulic Acid in Aprotic Medium

Sánchez, Analilia, Guillén-Villar, Roberto C., Sánchez, Rodrigo, Vargas, Rubicelia, Garza, Jorge, Matus, Myrna H., Salas-Reyes, Magali, Domínguez, Zaira

Journal:

Electrochimica Acta

Année:

2014

Langue:

english

Fichier:

PDF, 1.49 MB

english, 2014

27

Heats of Formation of Diphosphene, Phosphinophosphinidene, Diphosphine and Their Methyl Derivatives, and Mechanism of the Borane-Assisted Hydrogen Release

Matus, Myrna H., Nguyen, Minh Tho, Dixon, David A.

Journal:

Journal of Physical Chemistry A

Année:

2009

Langue:

english

Fichier:

PDF, 36 KB

english, 2009

28

Heats of Formation and Singlet−Triplet Separations of Hydroxymethylene and 1-Hydroxyethylidene

Matus, Myrna H., Nguyen, Minh Tho, Dixon, David A.

Journal:

Journal of Physical Chemistry A

Année:

2006

Langue:

english

Fichier:

PDF, 70 KB

english, 2006

29

Heats of Formation of Diphosphene, Phosphinophosphinidene, Diphosphine, and Their Methyl Derivatives, and Mechanism of the Borane-Assisted Hydrogen Release

Matus, Myrna H., Nguyen, Minh Tho, Dixon, David A.

Journal:

Journal of Physical Chemistry A

Année:

2007

Langue:

english

Fichier:

PDF, 172 KB

english, 2007

30

Substituent Effects

Chattaraj, Pratim K., González-Rivas, Nelly, Matus, Myrna H., Galván, Marcelo

Journal:

Journal of Physical Chemistry A

Année:

2005

Langue:

english

Fichier:

PDF, 102 KB

english, 2005

31

Reliable Predictions of the Thermochemistry of Boron−Nitrogen Hydrogen Storage Compounds: B x N x H y , x = 2, 3

Matus, Myrna H., Anderson, Kevin D., Camaioni, Donald M., Autrey, S. Thomas, Dixon, David A.

Journal:

Journal of Physical Chemistry A

Année:

2007

Langue:

english

Fichier:

PDF, 149 KB

english, 2007

32

Theoretical Prediction of the Heats of Formation of C 2 H 5 O • Radicals Derived from Ethanol and of the Kinetics of β-C−C Scission in the Ethoxy Radical

Matus, Myrna H., Nguyen, Minh Tho, Dixon, David A.

Journal:

Journal of Physical Chemistry A

Année:

2007

Langue:

english

Fichier:

PDF, 187 KB

english, 2007

33

Reactions of Diborane with Ammonia and Ammonia Borane: Catalytic Effects for Multiple Pathways for Hydrogen Release

Nguyen, Vinh Son, Matus, Myrna H., Nguyen, Minh Tho, Dixon, David A.

Journal:

Journal of Physical Chemistry A

Année:

2008

Langue:

english

Fichier:

PDF, 2.85 MB

english, 2008

34

Bond Dissociation Energies in Second-Row Compounds

Grant, Daniel J., Matus, Myrna H., Switzer, Jackson R., Dixon, David A., Francisco, Joseph S., Christe, Karl O.

Journal:

Journal of Physical Chemistry A

Année:

2008

Langue:

english

Fichier:

PDF, 264 KB

english, 2008

35

Thermochemical Parameters of CHFO and CF 2 O

Matus, Myrna H., Nguyen, Minh Tho, Dixon, David A., Christe, Karl O.

Journal:

Journal of Physical Chemistry A

Année:

2008

Langue:

english

Fichier:

PDF, 1001 KB

english, 2008

36

Effect of Double Bonds on the Conducting Properties of Ciguatoxin 3C and Tetrahydropyrane-Based Polymers: A Theoretical Study

Matus, Myrna H., Garza, Jorge, Galván, Marcelo

Journal:

Journal of Physical Chemistry B

Année:

2006

Langue:

english

Fichier:

PDF, 299 KB

english, 2006

37

Thermochemistry for the Dehydrogenation of Methyl-Substituted Ammonia Borane Compounds

Grant, Daniel J., Matus, Myrna H., Anderson, Kevin D., Camaioni, Donald M., Neufeldt, Sharon R., Lane, Clinton F., Dixon, David A.

Journal:

Journal of Physical Chemistry A

Année:

2009

Langue:

english

Fichier:

PDF, 922 KB

english, 2009

38

Heats of Formation of Triplet Ethylene, Ethylidene, and Acetylene †

Nguyen, Minh Tho, Matus, Myrna H., Lester,, William A., Dixon, David A.

Journal:

Journal of Physical Chemistry A

Année:

2008

Langue:

english

Fichier:

PDF, 160 KB

english, 2008

39

Theoretical Study of the Hydrogen Release from Ammonia Alane and the Catalytic Effect of Alane

Nguyen, Vinh Son, Matus, Myrna H., Ngan, Vu Thi, Nguyen, Minh Tho, Dixon, David A.

Journal:

The Journal of Physical Chemistry C

Année:

2008

Langue:

english

Fichier:

PDF, 679 KB

english, 2008

40

Mechanism of the Hydration of Carbon Dioxide: Direct Participation of H 2 O versus Microsolvation

Nguyen, Minh Tho, Matus, Myrna H., Jackson, Virgil E., Ngan, Vu Thi, Rustad, James R., Dixon, David A.

Journal:

Journal of Physical Chemistry A

Année:

2008

Langue:

english

Fichier:

PDF, 1.64 MB

english, 2008

41

Seeking potential anticonvulsant agents that target GABAAreceptors using experimental and theoretical procedures

Saavedra-Vélez, Margarita Virginia, Correa-Basurto, José, Matus, Myrna H., Gasca-Pérez, Eloy, Bello, Martiniano, Cuevas-Hernández, Roberto, García-Rodríguez, Rosa Virginia, Trujillo-Ferrara, José, Ram

Journal:

Journal of Computer-Aided Molecular Design

Année:

2014

Langue:

english

Fichier:

PDF, 1.57 MB

english, 2014

42

Coordination of aminoborane, NH2BH2, dictates selectivity and extent of H2 release in metal-catalysed ammonia borane dehydrogenation

Pons, Vincent, Baker, R. Tom, Szymczak, Nathaniel K., Heldebrant, David J., Linehan, John C., Matus, Myrna H., Grant, Daniel J., Dixon, David A.

Journal:

Chemical Communications

Année:

2008

Langue:

english

Fichier:

PDF, 521 KB

english, 2008

43

The effect of the NH2 substituent on NH3: hydrazine as an alternative for ammonia in hydrogen release in the presence of boranes and alanes

Vinh-Son, Nguyen, Swinnen, Saartje, Matus, Myrna H., Nguyen, Minh Tho, Dixon, David A.

Journal:

Physical Chemistry Chemical Physics

Année:

2009

Langue:

english

Fichier:

PDF, 1.25 MB

english, 2009

44

The Heats of Formation of Diazene, Hydrazine, N 2 H 3+ , N 2 H 5+ , N 2 H, and N 2 H 3 and the Methyl Derivatives CH 3 NNH, CH 3 NNCH 3 , and CH 3 HNNHCH 3

Matus, Myrna H., Arduengo, Anthony J., Dixon, David A.

Journal:

Journal of Physical Chemistry A

Année:

2006

Langue:

english

Fichier:

PDF, 96 KB

english, 2006

45

Study of the oxidation mechanisms associated to new dimeric and trimeric esters of ferulic acid

Guillén-Villar, Roberto C., Vargas-Álvarez, Yamileth, Vargas, Rubicelia, Garza, Jorge, Matus, Myrna H., Salas-Reyes, Magali, Domínguez, Zaira

Journal:

Journal of Electroanalytical Chemistry

Année:

2015

Langue:

english

Fichier:

PDF, 768 KB

english, 2015

46

Analysis of the CO2 absorption through a series of amines within the integration of a computational chemistry and process simulation scheme

Vassilev-Galindo, Valentín, Matus, Myrna H., Morales-Cabrera, Miguel A.

Journal:

International Journal of Greenhouse Gas Control

Année:

2016

Langue:

english

Fichier:

PDF, 1.79 MB

english, 2016

47

Theoretical study of the global and local reactivity of a series of 3-aryl coumarins

Durand-Niconoff, J. Sergio, Matus, Myrna H., Juárez-Cerrillo, Sergio F., Meléndez, Francisco J.

Journal:

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

Année:

2016

Langue:

english

Fichier:

PDF, 1.37 MB

english, 2016

48

Theoretical study of the adsorption of substituted guaiacol and catechol radicals on a graphite surface

Perea-Ramírez, Luis Ignacio, Vargas, Rubicelia, Domínguez, Zaira, Salas-Reyes, Magali, Matus, Myrna H., Galván, Marcelo

Journal:

Electrochimica Acta

Année:

2017

Langue:

english

Fichier:

PDF, 1.28 MB

english, 2017

49

Global reactivity indexes and nonparametric statistics in the study of the proapoptotic activity of coumarins

Guerrero, Tomás, Torices-Saucedo, Adrián, Castro, María Eugenia, Juárez-Cerrillo, Sergio F., Meléndez, Francisco J., Matus, Myrna H., Durand-Niconoff, J. Sergio

Journal:

International Journal of Quantum Chemistry

Année:

2019

Langue:

english

Fichier:

PDF, 1.21 MB

english, 2019