All Stories

  1. Front Cover: Theoretical Investigation of Cyano‐Chalcogen Dimers and Their Importance in Molecular Recognition (ChemPhysChem 23/2019)

    Article • ChemPhysChem, December 2019, Wiley

    Dr Goar Sanchez

  2. Theoretical Investigation of Cyano‐Chalcogen Dimers and Their Importance in Molecular Recognition

    Article • ChemPhysChem, November 2019, Wiley

    Dr Goar Sanchez

  3. Sequestration of CO 2 by Phosphatrane Molecules

    Article • ChemPhysChem, October 2019, Wiley

    Dr Goar Sanchez

  4. Introduction to “Intramolecular Hydrogen Bonding 2018”

    Article • Molecules, August 2019, MDPI AG

    Dr Goar Sanchez

  5. Cyclohexane-Based Scaffold Molecules Acting as Anion Transport, Anionophores, via Noncovalent Interactions

    Article • Journal of Chemical Information and Modeling, April 2019, American Chemical Society (ACS)

    Dr Goar Sanchez

  6. Planarity or Nonplanarity: Modulating Guanidine Derivatives as α2-Adrenoceptors Ligands

    Article • Journal of Chemical Information and Modeling, March 2019, American Chemical Society (ACS)

    Dr Goar Sanchez

  7. Modulating intramolecular chalcogen bonds in aromatic (thio)(seleno)phene-based derivatives

    Article • Physical Chemistry Chemical Physics, January 2019, Royal Society of Chemistry

    Dr Goar Sanchez

  8. Synthesis and Cytotoxicity Studies of Novel NHC*-Gold(I) Complexes Derived from Lepidiline A

    Article • Molecules, August 2018, MDPI AG

    Dr Goar Sanchez

  9. Rapid Access to Thiolactone Derivatives through Radical-Mediated Acyl Thiol–Ene and Acyl Thiol–Yne Cyclization

    Article • Organic Letters, May 2018, American Chemical Society (ACS)

    Dr Goar Sanchez

  10. Improvement of Anion Transport Systems by Modulation of Chalcogen Interactions: The influence of solvent

    Article • The Journal of Physical Chemistry A, January 2018, American Chemical Society (ACS)

    Dr Goar Sanchez

  11. Enhancing Intramolecular Chalcogen Interactions in 1-Hydroxy-8-YH-naphthalene Derivatives

    Article • The Journal of Physical Chemistry A, November 2017, American Chemical Society (ACS)

    Dr Goar Sanchez

  12. Thiophene/thiazole-benzene replacement on guanidine derivatives targeting α 2 -Adrenoceptors

    Article • European Journal of Medicinal Chemistry, September 2017, Elsevier

    Dr Goar Sanchez

  13. Conformational studies of Gram-negative bacterial quorum sensing 3-oxo N -acyl homoserine lactone molecules

    Article • Bioorganic & Medicinal Chemistry, August 2017, Elsevier

    Dr Goar Sanchez

  14. Lone-Pair Hole on P: P···N Pnicogen Bonds Assisted by Halogen Bonds

    Article • The Journal of Physical Chemistry A, February 2017, American Chemical Society (ACS)

    Dr Goar Sanchez

  15. Theoretical Study of Intramolecular Interactions in Peri-Substituted Naphthalenes: Chalcogen and Hydrogen Bonds

    Article • Molecules, February 2017, MDPI AG

    Dr Goar Sanchez

  16. Modulation of in:out and out:out conformations in [X.X′.X′′] phosphatranes by Lewis acids

    Article • Physical Chemistry Chemical Physics, January 2017, Royal Society of Chemistry

    Dr Goar Sanchez

  17. In Vitro and In Vivo Investigations into the Carbene Gold Chloride and Thioglucoside Anticancer Drug Candidates NHC-AuCl and NHC-AuSR

    Article • Letters in Drug Design & Discovery, December 2016, Bentham Science Publishers

    Dr Goar Sanchez

  18. An insight on the aromatic changes in closed shell icosagen, tetrel, and pnictogen phenalenyl derivatives

    Article • Structural Chemistry, November 2016, Springer Science + Business Media

    Dr Goar Sanchez

  19. PP-Rotation, P-Inversion and Metathesis in Diphosphines Studied by DFT Calculations: Comments on Some Literature Conflicts

    Article • Inorganics, November 2016, MDPI AG

    Dr Goar Sanchez

  20. SARAH Domain-Mediated MST2-RASSF Dimeric Interactions

    Article • PLoS Computational Biology, October 2016, PLOS

    Dr Goar Sanchez

  21. Aromatic changes in isoelectronic derivatives of phenalenyl radicals by central carbon replacement

    Article • Tetrahedron, August 2016, Elsevier

    Dr Goar Sanchez

  22. Structure, binding energy and chiral discrimination in oxathiirane homodimers

    Article • Computational and Theoretical Chemistry, August 2016, Elsevier

    Dr Goar Sanchez

  23. Competition between intramolecular hydrogen and pnictogen bonds in protonated systems

    Article • Theoretical Chemistry Accounts, May 2016, Springer Science + Business Media

    Dr Goar Sanchez

  24. Coarse Master Equation-Based Analysis of N-Methylation and Temperature Effects on the Dynamics of Cyclic Peptides

    Article • Biophysical Journal, February 2016, Elsevier

    Dr Goar Sanchez

  25. Modulating intramolecular P⋯N pnictogen interactions

    Article • Physical Chemistry Chemical Physics, January 2016, Royal Society of Chemistry

    Dr Goar Sanchez

  26. Weak interactions within nitryl halide heterodimers

    Article • New Journal of Chemistry, January 2016, Royal Society of Chemistry

    Dr Goar Sanchez

  27. A Study of π-π Stacking Interactions and Aromaticity in Polycyclic Aromatic Hydrocarbon/Nucleobase Complexes

    Article • ChemPhysChem, December 2015, Wiley

    Dr Goar Sanchez

  28. MST2-RASSF protein–protein interactions through SARAH domains

    Article • Briefings in Bioinformatics, October 2015, Oxford University Press (OUP)

    Professor Boris N. Kholodenko, Dr Goar Sanchez

  29. Computational Study of Proton Transfer in Tautomers of 3- and 5-Hydroxypyrazole Assisted by Water

    Article • ChemPhysChem, June 2015, Wiley

    Dr Goar Sanchez

  30. Aromatic behaviour of benzene and naphthalene upon pnictogen substitution

    Article • Tetrahedron, February 2015, Elsevier

    Dr Goar Sanchez

  31. Theoretical study of cyanophosphines: Pnicogen vs. dipole–dipole interactions

    Article • Computational and Theoretical Chemistry, February 2015, Elsevier

    Dr Goar Sanchez

  32. Influence of fluoro and cyano substituents in the aromatic and antiaromatic characteristics of cyclooctatetraene

    Article • Physical Chemistry Chemical Physics, January 2015, Royal Society of Chemistry

    Dr Goar Sanchez

  33. Halogen, chalcogen and pnictogen interactions in (XNO2)2homodimers (X = F, Cl, Br, I)

    Article • New Journal of Chemistry, January 2015, Royal Society of Chemistry

    Dr Goar Sanchez

  34. A Computational Study on 3-Azonia-, 3-Phosphonia-, and 3-Arsoniaspiro[2.2]pentanes and Related Three-Membered Heterocycles

    Article • ChemPhysChem, August 2014, Wiley

    Dr Goar Sanchez

  35. Guanidine Complexes of Platinum: A Theoretical Study

    Article • The Journal of Physical Chemistry A, July 2014, American Chemical Society (ACS)

    Dr Goar Sanchez

  36. Divergent Pathways and Competitive Mechanisms of Metathesis Reactions between 3-Arylprop-2-ynyl Esters and Aldehydes: An Experimental and Theoretical Study

    Article • Chemistry - A European Journal, July 2014, Wiley

    Dr Goar Sanchez

  37. An NMR and Computational Study of Azolo[a]pyrimidines with Special Emphasis on Pyrazolo[1,5-a]pyrimidines

    Article • Journal of Heterocyclic Chemistry, May 2014, Wiley

    Dr Goar Sanchez

  38. Pnicogen Bonds between X═PH3 (X = O, S, NH, CH2) and Phosphorus and Nitrogen Bases

    Article • The Journal of Physical Chemistry A, February 2014, American Chemical Society (ACS)

    Dr Goar Sanchez

  39. Intramolecular pnicogen interactions in phosphorus and arsenic analogues of proton sponges

    Article • Physical Chemistry Chemical Physics, January 2014, Royal Society of Chemistry

    Dr Cristina Trujillo, Dr Goar Sanchez

  40. Intermolecular spin–spin coupling constants between 31P atoms

    Article • Comptes Rendus Chimie, October 2013, Elsevier

    Dr Goar Sanchez

  41. Effective Hamiltonian parameters forab initioenergy-level calculations of SrCl2:Yb2+and CsCaBr3:Yb2+

    Article • Journal of Physics Condensed Matter, September 2013, Institute of Physics Publishing

    Dr Goar Sanchez

  42. Non-Covalent Interactions: Complexes of Guanidinium with DNA and RNA Nucleobases

    Article • The Journal of Physical Chemistry, September 2013, American Chemical Society (ACS)

    Dr Goar Sanchez

  43. A theoretical study on the aromaticity of benzene and related derivatives incorporating a C–CC–C fragment

    Article • Tetrahedron, September 2013, Elsevier

    Dr Goar Sanchez

  44. Resonance assisted hydrogen bonds in open-chain and cyclic structures of malonaldehyde enol: A theoretical study

    Article • Journal of Molecular Structure, September 2013, Elsevier

    Dr Goar Sanchez

  45. Ab Initio Study of Cooperative Effects in Complexes X:HBO:Z, with X, Z=LiH, HNC, HF, HCN, HCl, ClF, and HBO: Structures, Binding Energies, and Spin-Spin Coupling Constants across Intermolecular Bonds

    Article • Zeitschrift für Physikalische Chemie, June 2013, De Gruyter

    Dr Goar Sanchez

  46. Intramolecular Pnicogen Interactions in PHF(CH2)nPHF (n=2-6) Systems

    Article • ChemPhysChem, March 2013, Wiley

    Dr Goar Sanchez

  47. Phosphorus As a Simultaneous Electron-Pair Acceptor in Intermolecular P···N Pnicogen Bonds and Electron-Pair Donor to Lewis Acids

    Article • The Journal of Physical Chemistry A, March 2013, American Chemical Society (ACS)

    Dr Goar Sanchez

  48. Solvent effects on guanidinium-anion interactions and the problem of guanidinium Y-aromaticity

    Article • Journal of Physical Organic Chemistry, March 2013, Wiley

    Dr Goar Sanchez

  49. Orthogonal interactions between nitryl derivatives and electron donors: pnictogen bonds

    Article • Physical Chemistry Chemical Physics, January 2013, Royal Society of Chemistry

    Dr Goar Sanchez

  50. Linear free energy relationships in halogen bonds

    Article • CrystEngComm, January 2013, Royal Society of Chemistry

    Dr Goar Sanchez

  51. Exploring (NH2F)2, H2FP:NFH2, and (PH2F)2 Potential Surfaces: Hydrogen Bonds or Pnicogen Bonds?

    Article • The Journal of Physical Chemistry A, December 2012, American Chemical Society (ACS)

    Dr Goar Sanchez

  52. A theoretical investigation of the mechanism of formation of a simplified analog of the green fluorescent protein (GFP) from a peptide model

    Article • Structural Chemistry, October 2012, Springer Science + Business Media

    Dr Goar Sanchez

  53. Cation–π vs. π–π interactions: Complexes of 2-pyridinylguanidinium derivatives and aromatic systems

    Article • Computational and Theoretical Chemistry, October 2012, Elsevier

    Dr Goar Sanchez

  54. Multinuclear NMR Characterization of Cyanuric Fluoride (2,4,6-Trifluoro-1,3,5-triazine)

    Article • Journal of Heterocyclic Chemistry, September 2012, Wiley

    Dr Goar Sanchez

  55. Interplay of F–H...F Hydrogen Bonds and P...N Pnicogen Bonds

    Article • The Journal of Physical Chemistry A, August 2012, American Chemical Society (ACS)

    Dr Goar Sanchez

  56. A theoretical study of the parent NH-benzazoles (benzimidazoles, indazoles and benzotriazoles): geometries, energies, acidity and basicity, NMR properties and molecular electrostatic potentials

    Article • ARKIVOC, August 2012, ARKAT USA, Inc.

    Dr Goar Sanchez

  57. A theoretical NMR study of the structure of benzynes and some of their carbocyclic and heterocyclic analogs

    Article • Tetrahedron, August 2012, Elsevier

    Dr Goar Sanchez

  58. Thermodynamic and hydrogen-bond basicity of phosphine oxides: Effect of the ring strain

    Article • Computational and Theoretical Chemistry, August 2012, Elsevier

    Dr Goar Sanchez

  59. Electron density shift description of non-bonding intramolecular interactions

    Article • Computational and Theoretical Chemistry, July 2012, Elsevier

    Dr Goar Sanchez

  60. Influence of Hydrogen Bonds on the P···P Pnicogen Bond

    Article • Journal of Chemical Theory and Computation, June 2012, American Chemical Society (ACS)

    Dr Goar Sanchez

  61. Variations in the structures and binding energies of binary complexes with HBO

    Article • Chemical Physics Letters, June 2012, Elsevier

    Dr Goar Sanchez

  62. Homo- and heterochiral dimers (PHFX)2, X=Cl, CN, CH3, NC: To what extent do they differ?

    Article • Chemical Physics Letters, June 2012, Elsevier

    Dr Goar Sanchez

  63. Competition and Interplay between σ-Hole and π-Hole Interactions: A Computational Study of 1:1 and 1:2 Complexes of Nitryl Halides (O2NX) with Ammonia

    Article • The Journal of Physical Chemistry A, May 2012, American Chemical Society (ACS)

    Dr Goar Sanchez

  64. The tautomeric structures of 3(5),3′(5′)-azopyrazole [(E)-1,2-di(1H-pyrazol-3(5)-yl)diazene)]: The combined use of NMR and electronic spectroscopies with DFT calculations

    Article • Journal of Molecular Structure, May 2012, Elsevier

    Dr Goar Sanchez

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

    Article • Structural Chemistry, March 2012, Springer Science + Business Media

    Dr Goar Sanchez

  66. Structures, Binding Energies, and Spin–Spin Coupling Constants of Geometric Isomers of Pnicogen Homodimers (PHFX)2, X = F, Cl, CN, CH3, NC

    Article • The Journal of Physical Chemistry A, March 2012, American Chemical Society (ACS)

    Dr Goar Sanchez

  67. The structure of glibenclamide in the solid state

    Article • Magnetic Resonance in Chemistry, March 2012, Wiley

    Dr Goar Sanchez

  68. FCl:PCX Complexes: Old and New Types of Halogen Bonds

    Article • The Journal of Physical Chemistry A, February 2012, American Chemical Society (ACS)

    Dr Goar Sanchez

  69. A theoretical reappraisal of the cyclol hypothesis

    Article • Structural Chemistry, January 2012, Springer Science + Business Media

    Dr Goar Sanchez

  70. Intermolecular Weak Interactions in HTeXH Dimers (X=O, S, Se, Te): Hydrogen Bonds, Chalcogen-Chalcogen Contacts and Chiral Discrimination

    Article • ChemPhysChem, January 2012, Wiley

    Dr Goar Sanchez

  71. Weak interactions between hypohalous acids and dimethylchalcogens

    Article • Physical Chemistry Chemical Physics, January 2012, Royal Society of Chemistry

    Dr Goar Sanchez

  72. Strong interactions between copper halides and unsaturated systems: new metallocycles? Or the importance of deformation

    Article • Physical Chemistry Chemical Physics, January 2012, Royal Society of Chemistry

    Dr Goar Sanchez

  73. A theoretical study of 1:1 and 1:2 complexes of acetylene with nitrosyl hydride

    Article • Structural Chemistry, December 2011, Springer Science + Business Media

    Dr Goar Sanchez

  74. Structures, Energies, Bonding, and NMR Properties of Pnicogen Complexes H2XP:NXH2(X ═ H, CH3, NH2, OH, F, Cl)

    Article • The Journal of Physical Chemistry A, November 2011, American Chemical Society (ACS)

    Dr Goar Sanchez

  75. Simultaneous Interactions of Anions and Cations with Cyclohexane and Adamantane: Aliphatic Cyclic Hydrocarbons as Charge Insulators

    Article • The Journal of Physical Chemistry A, November 2011, American Chemical Society (ACS)

    Dr Goar Sanchez

  76. Theoretical study of the HXYH dimers (X, Y = O, S, Se). Hydrogen bonding and chalcogen–chalcogen interactions

    Article • Molecular Physics, November 2011, Taylor & Francis

    Dr Goar Sanchez

  77. A theoretical study of the conformation of 2,2′-bifuran, 2,2′-bithiophene, 2,2′-bitellurophene and mixed derivatives: Chalcogen–chalcogen interactions or dipole–dipole effects?

    Article • Computational and Theoretical Chemistry, November 2011, Elsevier

    Dr Goar Sanchez

  78. Isomerization barriers in bis(4H-thiopyran) and in bithioxanthenes

    Article • Tetrahedron, September 2011, Elsevier

    Dr Goar Sanchez

  79. 31P–31P spin–spin coupling constants for pnicogen homodimers

    Article • Chemical Physics Letters, August 2011, Elsevier

    Dr Goar Sanchez

  80. Theoretical study of the stability of small triply charged carbon clusters Cn3+ (n=3–12)

    Article • International Journal of Mass Spectrometry, January 2011, Elsevier

    Dr Goar Sanchez

  81. Electronic spectra of Yb2+-doped SrCl2

    Article • The Journal of Chemical Physics, September 2010, American Institute of Physics

    Dr Goar Sanchez

  82. Yb2+-doped SrCl2: Electronic structure of impurity states and impurity-trapped excitons

    Article • The Journal of Chemical Physics, September 2010, American Institute of Physics

    Dr Goar Sanchez

  83. Energy level shifts in two-step spin–orbit coupling ab initio calculations

    Article • Chemical Physics Letters, September 2010, Elsevier

    Dr Goar Sanchez

  84. Energy Shift of the 4f136s1Excited States of Yb2+from Gas Phase to the CsCaBr3Solid

    Article • Spectroscopy Letters, July 2010, Taylor & Francis

    Dr Goar Sanchez

  85. Energy Gaps in the 4f135d1Manifold and Multiple Spontaneous Emissions in Yb2+-Doped CsCaBr3†

    Article • The Journal of Physical Chemistry A, November 2009, American Chemical Society (ACS)

    Dr Goar Sanchez

  86. Spin-forbidden and spin-enabled 4f14→4f135d1 transitions of Yb2+-doped CsCaBr3

    Article • The Journal of Chemical Physics, July 2009, American Institute of Physics

    Dr Goar Sanchez

  87. Theoretical study of the stability of multiply charged C70 fullerenes

    Article • The Journal of Chemical Physics, September 2007, American Institute of Physics

    Dr Goar Sanchez

  88. Structural Patterns in Fullerenes Showing Adjacent Pentagons: C20 to C72

    Article • Journal of Nanoscience and Nanotechnology, April 2007, American Scientific Publishers

    Dr Goar Sanchez

  89. Fragmentation of small neutral carbon clusters

    Article • International Journal of Mass Spectrometry, May 2006, Elsevier

    Dr Goar Sanchez

  90. Ionization potentials and dissociation energies of neutral, singly and doubly charged Cn fullerenes from n=20 to 70

    Article • International Journal of Mass Spectrometry, May 2006, Elsevier

    Dr Goar Sanchez

  91. Size dependence of ionization potentials and dissociation energies for neutral and singly-charged Cn fullerenes (n=40–70)

    Article • Chemical Physics Letters, November 2005, Elsevier

    Dr Goar Sanchez