Jose M Hermida-Ramón: search on Z-Library

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1

Synthesis, spectral studies, crystal structures and TDDFT studies of the rhenium(I) complexes of 2,4-dihydroxy-N′-(4-hydroxybenzilidene) benzohydrazide

Marta Sánchez-Lozano, Ezequiel M. Vázquez-López, José M. Hermida-Ramón, Carlos M. Estévez

Journal:

Year:

2011

Language:

english

File:

PDF, 1.27 MB

english, 2011

2

The study of A(CH3OH)1–6 (A = Li+, Na+) in the gas phase based on ab initio calculations, analysis of the solvation process

Alba Garcı́a-Muruais, Enrique M. Cabaleiro-Lago, Jose M. Hermida-Ramón, Miguel A. Rı́os

Journal:

Chemical Physics

Year:

2000

Language:

english

File:

PDF, 286 KB

english, 2000

3

Evaluation of Magnetic Properties as a Criterion for the Elucidation of the Pseudopericyclic Character of 1,5-Electrocyclizations in Nitrile Ylides

Cabaleiro-Lago, Enrique M., Rodríguez-Otero, Jesús, Hermida-Ramón, Jose M.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 98 KB

english, 2003

4

A Density Functional Theory Study on the Electrocyclization of 1,2,4,6-Heptatetraene Analogues: Converting a Pericyclic to a Pseudopericyclic Reaction

Enrique M. Cabaleiro-Lago, Jesús Rodríguez-Otero, Rosa M. García-López, Angeles Peña-Gallego, Jose M. Hermida-Ramón

Journal:

Chemistry - A European Journal

Year:

2005

Language:

english

File:

PDF, 340 KB

english, 2005

5

Computational study of the dissociation of oxalic acid in water clusters

Jose M Hermida-Ramón, Enrique M Cabaleiro-Lago, Jesús Rodrı́guez-Otero

Journal:

Chemical Physics

Year:

2004

Language:

english

File:

PDF, 381 KB

english, 2004

6

A computational study of the protonation of simple amines in water clusters

Sánchez-Lozano, Marta, Cabaleiro-Lago, Enrique M., Hermida-Ramón, Jose M., Estévez, Carlos M.

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 3.15 MB

english, 2013

7

Calculation of the Molecular and Atomic Properties of Selected Anions in Water

Holt, Asbjørn, Karlström, Gunnar, Hermida-Ramón, José Manuel

Journal:

Journal of Physical Chemistry B

Year:

2011

Language:

english

File:

PDF, 844 KB

english, 2011

8

Planar or Nonplanar: What Is the Structure of Urea in Aqueous Solution?

Hermida-Ramón, Jose Manuel, Öhrn, Anders, Karlström, Gunnar

Journal:

Journal of Physical Chemistry B

Year:

2007

Language:

english

File:

PDF, 55 KB

english, 2007

9

Ab initio molecular analysis of dimethyl ether dimer. Thermodynamic properties

Jose M. Hermida-Ramón, Miguel A. Ríos

Journal:

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

Year:

2000

Language:

english

File:

PDF, 128 KB

english, 2000

10

Structural Study of Methane Hydrate

Jose M. Hermida-Ramón, Ana M. Graña, Carlos M. Estévez

Journal:

Structural Chemistry

Year:

2007

Language:

english

File:

PDF, 153 KB

english, 2007

11

SERS Chiral Recognition and Quantification of Enantiomers through Cyclodextrin Supramolecular Complexation

Sara Abalde-Cela, Dr. José M. Hermida-Ramón, Dr. Pablo Contreras-Carballada, Prof. Luisa De Cola, Dr. Andrés Guerrero-Martínez, Dr. Ramón A. Alvarez-Puebla, Prof. Luis M. Liz-Marzán

Journal:

Year:

2011

Language:

english

File:

PDF, 524 KB

english, 2011

12

Computational Study of the Interaction in (CH 3 ) 2 X Dimer and Trimer (X = O, S)

Cabaleiro-Lago, Enrique M., Hermida-Ramón, Jose M., Rodríguez-Otero, Jesús

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 135 KB

english, 2004

13

The Energy of Interaction between Two Acetone Molecules: A Potential Function Constructed from ab Initio Data

Hermida-Ramón, Jose M., Ríos, Miguel A.

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 123 KB

english, 1998

14

A DFT Study of the Pericyclic/Pseudopericyclic Character of Cycloaddition Reactions of Ethylene and Formaldehyde to Buta-1,3-dien-1-one and Derivatives

Cabaleiro-Lago, Enrique M., Rodríguez-Otero, Jesús, González-López, Iván, Peña-Gallego, Angeles, Hermida-Ramón, Jose M.

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 571 KB

english, 2005

15

Are Electrocyclization Reactions of (3 Z )-1,3,5-Hexatrienone and Nitrogen Derivatives Pseudopericyclic? A DFT Study

Cabaleiro-Lago, Enrique M., Rodríguez-Otero, Jesús, Varela-Varela, Santiago M., Peña-Gallego, Angeles, Hermida-Ramón, Jose M.

Journal:

Journal of Organic Chemistry

Year:

2005

Language:

english

File:

PDF, 444 KB

english, 2005

16

Theoretical design of molecular grippers for anion recognition based on subporphyrazines and subphthalocyanines

Sánchez-Lozano, Marta, Estévez, Carlos M., Hermida-Ramón, Jose M.

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 3.78 MB

english, 2014

17

The Catalytic Role of Extra Molecules in the Aminolysis or Heterolytic Cleavage of an Iridium Alkoxycarbene Complex

Talavera, María, Bolaño, Sandra, Bravo, Jorge, García-Fontán, Soledad, Hermida-Ramón, Jose M.

Journal:

European Journal of Inorganic Chemistry

Year:

2015

Language:

english

File:

PDF, 5.78 MB

english, 2015

18

Molecular tweezers as receptors for anions: An energetic and topological study

Marcos Mandado, Jose M. Hermida-Ramón, Carlos M. Estévez

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2008

Language:

english

File:

PDF, 550 KB

english, 2008

19

Theoretical Vibrational Raman and Surface-Enhanced Raman Scattering Spectra of Water Interacting with Silver Clusters

Sanchéz-Lozano, Marta, Mandado, Marcos, Pérez-Juste, Ignacio, Hermida-Ramón, Jose M.

Journal:

Year:

2014

Language:

english

File:

PDF, 896 KB

english, 2014

20

Method for Slater-Type Density Fitting for Intermolecular Electrostatic Interactions with Charge Overlap. I. The Model.

Ohrn, Anders, Hermida-Ramón, Jose Manuel, Karlstrom, Gunnar

Journal:

Journal of Chemical Theory and Computation

Year:

2016

Language:

english

File:

PDF, 942 KB

english, 2016

21

DFT Study of Pericyclic and Pseudopericyclic Thermal Cheletropic Decarbonylations. Evaluation of Magnetic Properties

Rodríguez-Otero, Jesús, Cabaleiro-Lago, Enrique M., Hermida-Ramón, Jose M., Peña-Gallego, Angeles

Journal:

Journal of Organic Chemistry

Year:

2003

Language:

english

File:

PDF, 396 KB

english, 2003

22

Simultaneous SERS detection of copper and cobalt at ultratrace levels

Tsoutsi, Dionysia, Guerrini, Luca, Hermida-Ramon, Jose Manuel, Giannini, Vincenzo, Liz-Marzán, Luis M., Wei, Alexander, Alvarez-Puebla, Ramon A.

Journal:

Year:

2013

Language:

english

File:

PDF, 679 KB

english, 2013

23

Study of the hydronium ion in water. A combined quantum chemical and statistical mechanical treatment

Jose Manuel Hermida-Ramón, Gunnar Karlström

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2004

Language:

english

File:

PDF, 223 KB

english, 2004

24

Synthesis, characterization, reactivity and computational studies of new rhenium(I) complexes with thiosemicarbazone ligands derived from 4-(methylthio)benzaldehyde

Ara Núñez-Montenegro, Rosa Carballo, José M. Hermida-Ramón, Ezequiel M. Vázquez-López

Journal:

Year:

2011

Language:

english

File:

PDF, 1.15 MB

english, 2011

25

Analysis of the Relative Stability of cis -Urocanic Acid in Condensed Phase. The Use of Langevin Dipoles

Hermida-Ramón, Jose Manuel, Karlström, Gunnar, Lindh, Roland

Journal:

Journal of Physical Chemistry B

Year:

2002

Language:

english

File:

PDF, 58 KB

english, 2002

26

Blue-shifting hydrogen bond in the benzene–benzene and benzene–naphthalene complexes

Jose M. Hermida-Ramón, Ana M. Graña

Journal:

Journal of Computational Chemistry

Year:

2007

Language:

english

File:

PDF, 208 KB

english, 2007

27

Aqueous solvent effects on structure and lowest electronic transition of methylene peroxide in an explicit solvent model

Jose Manuel Hermida-Ramón, Anders Öhrn, Gunnar Karlström

Journal:

Chemical Physics

Year:

2009

Language:

english

File:

PDF, 511 KB

english, 2009

28

Ab Initio MP2 and DFT Study of the Thermal Syn Elimination Reaction in Ethyl Formate

Hermida-Ramón, Jose M., Rodríguez-Otero, Jesús, Cabaleiro-Lago, Enrique M.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 64 KB

english, 2003

29

Study of the Hydroxyl Ion in Water. A Combined Quantum Chemical and Statistical Mechanical Treatment

Hermida-Ramón, Jose Manuel, Karlström, Gunnar

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 79 KB

english, 2003

30

Do small carboxylic acids present intramolecular hydrogen bond?

José Manuel Hermida-Ramón, Ricardo A. Mosquera

Journal:

Chemical Physics

Year:

2006

Language:

english

File:

PDF, 312 KB

english, 2006

31

On the influence of the basis set superposition error on calculated vibrational frequencies

Jose Manuel Hermida-Ramón, Gunnar Karlström, Bengt Nelander

Journal:

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

Year:

2003

Language:

english

File:

PDF, 229 KB

english, 2003

32

Analysis of the SERS Spectrum by Theoretical Methodology: Evaluating a Classical Dipole Model and the Detuning of the Excitation Frequency

Hermida-Ramon, Jose M., Guerrini, Luca, Alvarez-Puebla, Ramon A.

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 2.84 MB

english, 2013

33

Ab initio molecular orbital analysis of acetaldehyde dimers.: Thermodynamic properties

Jose M Hermida-Ramón, Miguel A Rı́os

Journal:

Chemical Physics Letters

Year:

1998

Language:

english

File:

PDF, 111 KB

english, 1998

34

Inter- and intramolecular potential for the N-formylglycinamide-water system. A comparison between theoretical modeling and empirical force fields

Jose Manuel Hermida-Ramón, Steve Brdarski, Gunnar Karlström, Ulf Berg

Journal:

Journal of Computational Chemistry

Year:

2003

Language:

english

File:

PDF, 463 KB

english, 2003

35

QTAIM interpretation of the basicity of substituted anilines

Ana M. Graña, José M. Hermida-Ramón, Ricardo A. Mosquera

Journal:

Chemical Physics Letters

Year:

2005

Language:

english

File:

PDF, 105 KB

english, 2005

36

Correction to “Ultrafast Ring-Opening/Closing and Deactivation Channels for a Model Spiropyran–Merocyanine System”

Sanchez-Lozano, Marta, Estévez, Carlos Manuel, Hermida-Ramón, Jose, Serrano-Andres, Luis

Journal:

Journal of Physical Chemistry A

Year:

2011

File:

PDF, 598 KB

2011

37

Computational Study of the Interaction in X - (CH 3 NH 2 ) n Clusters (X = F, Cl; n = 1−4). The Balance between Ion−Molecule and Molecule−Molecule Interactions

Cabaleiro-Lago, Enrique M., Hermida-Ramón, Jose M., Rodríguez-Otero, Jesús

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 104 KB

english, 2003

38

Structure and spectrum of the hydrated electron. A combined quantum chemical statistical mechanical simulation

Hermida-Ramon, Jose M., Öhrn, Anders, Karlström, Gunnar

Journal:

Journal of Molecular Liquids

Year:

2019

Language:

english

File:

PDF, 1.39 MB

english, 2019

39

A New Intermolecular Polarizable Potential for a Formaldehyde Dimer. Application to Liquid Simulations

Hermida-Ramón, Jose M., Ríos, Miguel A.

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 120 KB

english, 1998

40

Towards the Design of Neutral Molecular Tweezers for Anion Recognition

Jose M. Hermida-Ramón, Carlos M. Estévez

Journal:

Chemistry - A European Journal

Year:

2007

Language:

english

File:

PDF, 257 KB

english, 2007

41

DFT Study of the Nucleophilic Addition of Water to Ketenes

Jesús Rodríguez-Otero, Jose M. Hermida-Ramón, Enrique M. Cabaleiro-Lago

Journal:

European Journal of Organic Chemistry

Year:

2007

Language:

english

File:

PDF, 186 KB

english, 2007

42

An ab initio polarizable intermolecular potential for dimethyl ether: application to liquid simulations

Jose M Hermida-Ramón, Miguel A Rı́os

Journal:

Chemical Physics

Year:

2000

Language:

english

File:

PDF, 359 KB

english, 2000

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