메뉴 건너뛰기




Volumn 117, Issue 40, 2013, Pages 10497-10503

Pnicogen bonded complexes of PO2X (X = F, Cl) with nitrogen bases

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO MP2; CHARGE TRANSFER ENERGY; COVALENCIES; FERMI-CONTACT; LEWIS ACID; NITROGEN BASIS; PLANARITY; SPIN-SPIN COUPLING CONSTANTS;

EID: 84885607767     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp407097e     Document Type: Article
Times cited : (131)

References (75)
  • 1
    • 84966283059 scopus 로고
    • Synthesis and X-ray Structure of Binaphthyl-Based Macrocyclic Diphosphanes and their Ni(II) and Pd(II) Complexes
    • Widhalm, M.; Kratky, C. Synthesis and X-ray Structure of Binaphthyl-Based Macrocyclic Diphosphanes and their Ni(II) and Pd(II) Complexes Chem. Ber. 1992, 125, 679-689
    • (1992) Chem. Ber. , vol.125 , pp. 679-689
    • Widhalm, M.1    Kratky, C.2
  • 2
    • 0000358758 scopus 로고
    • The E, C, T Interpretation of Bond Dissociation Energies and Anion-Neutral Molecule Interactions
    • Drago, R. S.; Wong, N.; Ferris, D. C. The E, C, T Interpretation of Bond Dissociation Energies and Anion-Neutral Molecule Interactions J. Am. Chem. Soc. 1991, 113, 1970-1977
    • (1991) J. Am. Chem. Soc. , vol.113 , pp. 1970-1977
    • Drago, R.S.1    Wong, N.2    Ferris, D.C.3
  • 3
    • 0001695730 scopus 로고
    • Intramolecular Coordination at Phosphorus: Donor-Acceptor Interaction in Three- and Four-Coordinated Phosphorus Compounds
    • Carré, F.; Chuit, C.; Corriu, R. J. P.; Mongorte, P.; Nayyar, N. K.; Reyé, C. Intramolecular Coordination at Phosphorus: Donor-Acceptor Interaction in Three- and Four-Coordinated Phosphorus Compounds J. Organomet. Chem. 1995, 499, 147-154
    • (1995) J. Organomet. Chem. , vol.499 , pp. 147-154
    • Carré, F.1    Chuit, C.2    Corriu, R.J.P.3    Mongorte, P.4    Nayyar, N.K.5    Reyé, C.6
  • 5
    • 34547957478 scopus 로고    scopus 로고
    • A Predicted New Type of Directional Noncovalent Interaction
    • Murray, J. S.; Lane, P.; Politzer, P. A Predicted New Type of Directional Noncovalent Interaction Int. J. Quantum Chem. 2007, 107, 2286-2292
    • (2007) Int. J. Quantum Chem. , vol.107 , pp. 2286-2292
    • Murray, J.S.1    Lane, P.2    Politzer, P.3
  • 6
    • 57749112907 scopus 로고    scopus 로고
    • Theoretical Studies on the Nature of Bonding in σ-Hole Complexes
    • Mohajeri, A.; Pakirai, A. H.; Bagheri, N. Theoretical Studies on the Nature of Bonding in σ-Hole Complexes Chem. Phys. Lett. 2009, 467, 393-397
    • (2009) Chem. Phys. Lett. , vol.467 , pp. 393-397
    • Mohajeri, A.1    Pakirai, A.H.2    Bagheri, N.3
  • 8
    • 78751525022 scopus 로고    scopus 로고
    • SH···N and SH···P Blue-Shifting H-Bonds and N···P Interactions in Complexes Pairing HSN with Amines and Phosphines
    • Solimannejad, M.; Gharabaghi, M.; Scheiner, S. SH··· N and SH···P Blue-Shifting H-Bonds and N·· ·P Interactions in Complexes Pairing HSN with Amines and Phosphines J. Chem. Phys. 2011, 134 (024312) 1-6
    • (2011) J. Chem. Phys. , vol.134 , pp. 1-6
    • Solimannejad, M.1    Gharabaghi, M.2    Scheiner, S.3
  • 9
    • 79952494920 scopus 로고    scopus 로고
    • A New Noncovalent Force: Comparison of P ···N Interaction with Hydrogen and Halogen Bonds
    • Scheiner, S. A New Noncovalent Force: Comparison of P ···N Interaction with Hydrogen and Halogen Bonds J. Chem. Phys. 2011, 134 (094315) 1-9
    • (2011) J. Chem. Phys. , vol.134 , pp. 1-9
    • Scheiner, S.1
  • 10
    • 80052033913 scopus 로고    scopus 로고
    • Effects of Substituents upon the P···N Noncovalent Interaction: The Limits of its Strength
    • Scheiner, S. Effects of Substituents upon the P···N Noncovalent Interaction: The Limits of its Strength J. Phys. Chem. A 2011, 115, 11202-11209
    • (2011) J. Phys. Chem. A , vol.115 , pp. 11202-11209
    • Scheiner, S.1
  • 12
    • 84859599070 scopus 로고    scopus 로고
    • Substituent Effects on Cl···N, S·· ·N, and P···N Noncovalent Bonds
    • Adhikari, U.; Scheiner, S. Substituent Effects on Cl·· ·N, S···N, and P···N Noncovalent Bonds J. Phys. Chem. A 2012, 116, 3487-3497
    • (2012) J. Phys. Chem. A , vol.116 , pp. 3487-3497
    • Adhikari, U.1    Scheiner, S.2
  • 13
    • 84859156862 scopus 로고    scopus 로고
    • Sensitivity of Pnicogen, Chalcogen, Halogen and H-Bonds to Angular Distortions
    • Adhikari, U.; Scheiner, S. Sensitivity of Pnicogen, Chalcogen, Halogen and H-Bonds to Angular Distortions Chem. Phys. Lett. 2012, 532, 31-35
    • (2012) Chem. Phys. Lett. , vol.532 , pp. 31-35
    • Adhikari, U.1    Scheiner, S.2
  • 14
    • 80052946858 scopus 로고    scopus 로고
    • Can Two Trivalent N Atoms Engage in a Direct N N Noncovalent Interaction?
    • Scheiner, S. Can Two Trivalent N Atoms Engage in a Direct N N Noncovalent Interaction? Chem. Phys. Lett. 2011, 514, 32-35
    • (2011) Chem. Phys. Lett. , vol.514 , pp. 32-35
    • Scheiner, S.1
  • 15
    • 80052038901 scopus 로고    scopus 로고
    • Effects of Multiple Substitution upon the P···N Noncovalent Interaction
    • Scheiner, S. Effects of Multiple Substitution upon the P···N Noncovalent Interaction Chem. Phys. 2011, 387, 79-84
    • (2011) Chem. Phys. , vol.387 , pp. 79-84
    • Scheiner, S.1
  • 16
    • 79955688274 scopus 로고    scopus 로고
    • On the Properties of X···N Noncovalent Interactions for First-, Second-, and Third-Row X Atoms
    • Scheiner, S. On the Properties of X···N Noncovalent Interactions for First-, Second-, and Third-Row X Atoms J. Chem. Phys. 2011, 134 (164313) 1-9
    • (2011) J. Chem. Phys. , vol.134 , pp. 1-9
    • Scheiner, S.1
  • 17
    • 81155124985 scopus 로고    scopus 로고
    • Comparison of P···D (D = P, N) with other Noncovalent Bonds in Molecular Aggregates
    • Adhikari, U.; Scheiner, S. Comparison of P···D (D = P, N) with other Noncovalent Bonds in Molecular Aggregates J. Chem. Phys. 2011, 135 (184306) 1-10
    • (2011) J. Chem. Phys. , vol.135 , pp. 1-10
    • Adhikari, U.1    Scheiner, S.2
  • 18
    • 80053928186 scopus 로고    scopus 로고
    • Abilities of Different Electron Donors (D) to Engage in a P···D Noncovalent Interaction
    • Scheiner, S.; Adhikari, U. Abilities of Different Electron Donors (D) to Engage in a P···D Noncovalent Interaction J. Phys. Chem. A 2011, 115, 11101-11110
    • (2011) J. Phys. Chem. A , vol.115 , pp. 11101-11110
    • Scheiner, S.1    Adhikari, U.2
  • 19
    • 79960965906 scopus 로고    scopus 로고
    • Weak H-Bonds. Comparisons of CHO to NHO in Proteins and PHN to Direct PN Interactions
    • Scheiner, S. Weak H-Bonds. Comparisons of CHO to NHO in Proteins and PHN to Direct PN Interactions Phys. Chem. Chem. Phys. 2011, 13, 13860-13872
    • (2011) Phys. Chem. Chem. Phys. , vol.13 , pp. 13860-13872
    • Scheiner, S.1
  • 22
    • 84861576672 scopus 로고    scopus 로고
    • Effects of Carbon Chain Substituents on the P···N Noncovalent Bond
    • Adhikari, U.; Scheiner, S. Effects of Carbon Chain Substituents on the P···N Noncovalent Bond Chem. Phys. Lett. 2012, 536, 30-33
    • (2012) Chem. Phys. Lett. , vol.536 , pp. 30-33
    • Adhikari, U.1    Scheiner, S.2
  • 30
    • 84866992457 scopus 로고    scopus 로고
    • Pnicogen-π Complexes: Theoretical Study and Biological Implications
    • Bauzá, A.; Quiñonero, D.; Deyà, P. M.; Frontera, A. Pnicogen-π Complexes: Theoretical Study and Biological Implications Phys. Chem. Chem. Phys. 2012, 14, 14061-14066
    • (2012) Phys. Chem. Chem. Phys. , vol.14 , pp. 14061-14066
    • Bauzá, A.1    Quiñonero, D.2    Deyà, P.M.3    Frontera, A.4
  • 33
    • 84876275366 scopus 로고    scopus 로고
    • Phosphorus as a Simultaneous Electron-Pair Acceptor in Intermolecular P···N Pnicogen Bonds and Electron-Pair Donor to Lewis Acids
    • Del Bene, J. E.; Alkorta, I.; Sánchez-Sanz, G.; Elguero, J. Phosphorus as a Simultaneous Electron-Pair Acceptor in Intermolecular P···N Pnicogen Bonds and Electron-Pair Donor to Lewis Acids J. Phys. Chem. A 2013, 117, 3133-3141
    • (2013) J. Phys. Chem. A , vol.117 , pp. 3133-3141
    • Del Bene, J.E.1    Alkorta, I.2    Sánchez-Sanz, G.3    Elguero, J.4
  • 34
    • 84876867173 scopus 로고    scopus 로고
    • Complexes between Dihydrogen and Amine, Phosphine, and Arsine Derivatives. Hydrogen Bond versus Pnictogen Interaction
    • Grabowski, S. J.; Alkorta, I.; Elguero, J. Complexes between Dihydrogen and Amine, Phosphine, and Arsine Derivatives. Hydrogen Bond versus Pnictogen Interaction J. Phys. Chem. A 2013, 117, 3243-3251
    • (2013) J. Phys. Chem. A , vol.117 , pp. 3243-3251
    • Grabowski, S.J.1    Alkorta, I.2    Elguero, J.3
  • 36
    • 84857801456 scopus 로고    scopus 로고
    • σ-Holes, π-Holes and Electrostatically-Driven Interactions
    • Murray, J.; Lane, P.; Clark, T.; Riley, K.; Politzer, P. σ-Holes, π-Holes and Electrostatically-Driven Interactions J. Mol. Model. 2012, 18, 541-548
    • (2012) J. Mol. Model. , vol.18 , pp. 541-548
    • Murray, J.1    Lane, P.2    Clark, T.3    Riley, K.4    Politzer, P.5
  • 37
    • 17044421336 scopus 로고    scopus 로고
    • Orthogonal Multipolar Interactions in Structural Chemistry and Biology
    • Paulini, R.; Müller, K.; Diederich, F. Orthogonal Multipolar Interactions in Structural Chemistry and Biology Angew. Chem., Int. Ed. 2005, 44, 1788-1805
    • (2005) Angew. Chem., Int. Ed. , vol.44 , pp. 1788-1805
    • Paulini, R.1    Müller, K.2    Diederich, F.3
  • 39
    • 84987093700 scopus 로고
    • Approximate Fourth-Order Perturbation Theory of the Electron Correlation Energy
    • Krishnan, R.; Pople, J. A. Approximate Fourth-Order Perturbation Theory of the Electron Correlation Energy Int. J. Quantum Chem. 1978, 14, 91-100
    • (1978) Int. J. Quantum Chem. , vol.14 , pp. 91-100
    • Krishnan, R.1    Pople, J.A.2
  • 40
    • 36749119399 scopus 로고
    • Many-Body Perturbation Theory Applied to Electron Pair Correlation Energies. I. Closed-Shell First-Row Diatomic Hydrides
    • Bartlett, R. J.; Silver, D. M. Many-Body Perturbation Theory Applied to Electron Pair Correlation Energies. I. Closed-Shell First-Row Diatomic Hydrides J. Chem. Phys. 1975, 62, 3258-3268
    • (1975) J. Chem. Phys. , vol.62 , pp. 3258-3268
    • Bartlett, R.J.1    Silver, D.M.2
  • 41
    • 84987143265 scopus 로고
    • Many-Body Perturbation Theory, Coupled-Pair Many-Electron Theory, and the Importance of Quadruple Excitations for the Correlation Problem
    • Bartlett, R. J.; Purvis, G. D. Many-Body Perturbation Theory, Coupled-Pair Many-Electron Theory, and the Importance of Quadruple Excitations for the Correlation Problem Int. J. Quantum Chem. 1978, 14, 561-581
    • (1978) Int. J. Quantum Chem. , vol.14 , pp. 561-581
    • Bartlett, R.J.1    Purvis, G.D.2
  • 42
    • 33645611213 scopus 로고
    • Proton Affinities of Ammonia, Water, and Hydrogen Fluoride and their Anions: A Quest for the Basis-Set Limit Using the Dunning Augmented Correlation-Consistent Basis Sets
    • Del Bene, J. E. Proton Affinities of Ammonia, Water, and Hydrogen Fluoride and their Anions: A Quest for the Basis-Set Limit Using the Dunning Augmented Correlation-Consistent Basis Sets J. Phys. Chem. 1993, 97, 107-110
    • (1993) J. Phys. Chem. , vol.97 , pp. 107-110
    • Del Bene, J.E.1
  • 43
    • 33746614482 scopus 로고
    • Gaussian Basis Sets for Use in Correlated Molecular Calculations. I. The Atoms Boron through Neon and Hydrogen
    • Dunning, T. H. Gaussian Basis Sets for Use in Correlated Molecular Calculations. I. The Atoms Boron through Neon and Hydrogen J. Chem. Phys. 1989, 90, 1007-1023
    • (1989) J. Chem. Phys. , vol.90 , pp. 1007-1023
    • Dunning, T.H.1
  • 44
    • 36449006587 scopus 로고
    • Gaussian Basis Sets for use in Correlated Molecular Calculations. V. Core-Valence Basis Sets for Boron through Neon
    • Woon, D. E.; Dunning, T. H. Gaussian Basis Sets for use in Correlated Molecular Calculations. V. Core-Valence Basis Sets for Boron through Neon J. Chem. Phys. 1995, 103, 4572-4585
    • (1995) J. Chem. Phys. , vol.103 , pp. 4572-4585
    • Woon, D.E.1    Dunning, T.H.2
  • 46
    • 0345401784 scopus 로고
    • A Quantum Theory of Molecular Structure and its Applications
    • Bader, R. F. W. A Quantum Theory of Molecular Structure and its Applications Chem. Rev. 1991, 91, 893-928
    • (1991) Chem. Rev. , vol.91 , pp. 893-928
    • Bader, R.F.W.1
  • 50
    • 0027946619 scopus 로고
    • Classification of Chemical Bonds Based on Topological Analysis of Electron Localization Functions
    • Silvi, B.; Savin, A. Classification of Chemical Bonds Based on Topological Analysis of Electron Localization Functions Nature 1994, 371, 683
    • (1994) Nature , vol.371 , pp. 683
    • Silvi, B.1    Savin, A.2
  • 51
    • 80855129745 scopus 로고    scopus 로고
    • (Version 11.08.23); TK Gristmill Software: Overland Park, KS, USA
    • Keith, Todd A. AIMAll (Version 11.08.23); TK Gristmill Software: Overland Park, KS, USA, 2011, (aim.tkgristmill.com).
    • (2011) AIMAll
    • Keith, T.A.1
  • 53
    • 0034669695 scopus 로고    scopus 로고
    • Behavior of Ylides Containing N, O, and C Atoms as Hydrogen Bond Acceptors
    • Rozas, I.; Alkorta, I.; Elguero, J. Behavior of Ylides Containing N, O, and C Atoms as Hydrogen Bond Acceptors J. Am. Chem. Soc. 2000, 122, 11154-11161
    • (2000) J. Am. Chem. Soc. , vol.122 , pp. 11154-11161
    • Rozas, I.1    Alkorta, I.2    Elguero, J.3
  • 54
    • 0011083499 scopus 로고
    • Intermolecular Interactions from a Natural Bond Orbital, Donor-Acceptor Viewpoint
    • Reed, A. E.; Curtiss, L. A.; Weinhold, F. Intermolecular Interactions from a Natural Bond Orbital, Donor-Acceptor Viewpoint Chem. Rev. 1988, 88, 899-926
    • (1988) Chem. Rev. , vol.88 , pp. 899-926
    • Reed, A.E.1    Curtiss, L.A.2    Weinhold, F.3
  • 57
    • 77957863625 scopus 로고    scopus 로고
    • Quantitative Analysis of Molecular Surfaces: Areas, Volumes, Electrostatic Potentials and Average Local Ionization Energies
    • Bulat, F.; Toro-Labbé, A.; Brinck, T.; Murray, J.; Politzer, P. Quantitative Analysis of Molecular Surfaces: Areas, Volumes, Electrostatic Potentials and Average Local Ionization Energies J. Mol. Model. 2010, 16, 1679-1693
    • (2010) J. Mol. Model. , vol.16 , pp. 1679-1693
    • Bulat, F.1    Toro-Labbé, A.2    Brinck, T.3    Murray, J.4    Politzer, P.5
  • 58
    • 40749094858 scopus 로고
    • Self-Consistent Perturbation Theory of Diamagnetism I. A Gauge-Invariant LCAO Method for NMR Chemical Shifts
    • Ditchfield, R. Self-Consistent Perturbation Theory of Diamagnetism I. A Gauge-Invariant LCAO Method for NMR Chemical Shifts Mol. Phys. 1974, 27, 789-807
    • (1974) Mol. Phys. , vol.27 , pp. 789-807
    • Ditchfield, R.1
  • 59
    • 0001741543 scopus 로고    scopus 로고
    • Electron Correlation Effects on the Theoretical Calculation of Nuclear Magnetic Resonance Spin-Spin Coupling Constants
    • Perera, S. A.; Nooijen, M.; Bartlett, R. J. Electron Correlation Effects on the Theoretical Calculation of Nuclear Magnetic Resonance Spin-Spin Coupling Constants J. Chem. Phys. 1996, 104, 3290-3305
    • (1996) J. Chem. Phys. , vol.104 , pp. 3290-3305
    • Perera, S.A.1    Nooijen, M.2    Bartlett, R.J.3
  • 60
    • 0542388793 scopus 로고
    • Coupled-Cluster Calculations of Indirect Nuclear Coupling Constants: The Importance of Non-Fermi Contact Contributions
    • Perera, S. A.; Sekino, H.; Bartlett, R. J. Coupled-Cluster Calculations of Indirect Nuclear Coupling Constants: The Importance of Non-Fermi Contact Contributions J. Chem. Phys. 1994, 101, 2186-2196
    • (1994) J. Chem. Phys. , vol.101 , pp. 2186-2196
    • Perera, S.A.1    Sekino, H.2    Bartlett, R.J.3
  • 61
    • 26344435738 scopus 로고
    • Fully Optimized Contracted Gaussian Basis Sets for Atoms Li to Kr
    • Schäfer, A.; Horn, H.; Ahlrichs, R. Fully Optimized Contracted Gaussian Basis Sets for Atoms Li to Kr J. Chem. Phys. 1992, 97, 2571-2577
    • (1992) J. Chem. Phys. , vol.97 , pp. 2571-2577
    • Schäfer, A.1    Horn, H.2    Ahlrichs, R.3
  • 63
    • 0034600247 scopus 로고    scopus 로고
    • 2: Molecular Geometry and Electronic Structure Parameter Determinations
    • 2: Molecular Geometry and Electronic Structure Parameter Determinations J. Am. Chem. Soc. 2000, 122, 4171-4176
    • (2000) J. Am. Chem. Soc. , vol.122 , pp. 4171-4176
    • Brupbacher-Gatehouses, B.1
  • 65
    • 0141917879 scopus 로고    scopus 로고
    • Eds. NIST Standard Reference Database Number 69; National Institute of Standards and Technology: Gaithersburg, MD
    • Linstrom, P. J.; Mallard, W. G., Eds. NIST Chemistry WebBook; NIST Standard Reference Database Number 69; National Institute of Standards and Technology: Gaithersburg, MD, http://webbook.nist.gov.
    • NIST Chemistry WebBook
    • Linstrom, P.J.1    Mallard, W.G.2
  • 66
    • 0000440507 scopus 로고
    • Sulfur-sulfur bond lengths, or can a bond length be estimated from a single parameter?
    • Knop, O.; Boyd, R. J.; Choi, S. C. Sulfur-sulfur bond lengths, or can a bond length be estimated from a single parameter? J. Am. Chem. Soc. 1988, 110, 7299-7301
    • (1988) J. Am. Chem. Soc. , vol.110 , pp. 7299-7301
    • Knop, O.1    Boyd, R.J.2    Choi, S.C.3
  • 67
    • 0032467279 scopus 로고    scopus 로고
    • Power law relationships between bond length, bond strength and electron density distributions
    • Gibbs, G. V.; Hill, F. C.; Boisen, M. B.; Downs, R. T. Power law relationships between bond length, bond strength and electron density distributions Phys. Chem. Minerals 1998, 25, 585-590
    • (1998) Phys. Chem. Minerals , vol.25 , pp. 585-590
    • Gibbs, G.V.1    Hill, F.C.2    Boisen, M.B.3    Downs, R.T.4
  • 68
    • 0034614406 scopus 로고    scopus 로고
    • Comparison of Models to Correlate Electron Density at the Bond Critical Point and Bond Distance
    • Alkorta, I.; Barrios, L.; Rozas, I.; Elguero, J. Comparison of Models to Correlate Electron Density at the Bond Critical Point and Bond Distance THEOCHEM 2000, 496, 131-137
    • (2000) THEOCHEM , vol.496 , pp. 131-137
    • Alkorta, I.1    Barrios, L.2    Rozas, I.3    Elguero, J.4
  • 69
    • 3543142588 scopus 로고    scopus 로고
    • Fluorine-Fluorine Interactions: A NMR and AIM Analysis
    • Alkorta, I.; Elguero, J. Fluorine-Fluorine Interactions: A NMR and AIM Analysis Struct. Chem. 2004, 15, 117-120
    • (2004) Struct. Chem. , vol.15 , pp. 117-120
    • Alkorta, I.1    Elguero, J.2
  • 70
    • 31344444913 scopus 로고    scopus 로고
    • Hydrogen Bonds: Relation between Lengths and Electron Densities at Bond Critical Points
    • Tang, T. H.; Deretey, E.; Knak Jensen, S. J.; Csizmadia, I. G. Hydrogen Bonds: Relation Between Lengths and Electron Densities at Bond Critical Points Eur. Phys. J. D 2006, 37, 217-222
    • (2006) Eur. Phys. J. D , vol.37 , pp. 217-222
    • Tang, T.H.1    Deretey, E.2    Knak Jensen, S.J.3    Csizmadia, I.G.4
  • 71
    • 33847379377 scopus 로고    scopus 로고
    • QTAIM Study of Strong H-Bonds with the O-H···A Fragment (A = O, N) in Three-Dimensional Periodical Crystals
    • Vener, M. V.; Manaev, A. V.; Egorova, A. N.; Tsirelson, V. G. QTAIM Study of Strong H-Bonds with the O-H···A Fragment (A = O, N) in Three-Dimensional Periodical Crystals J. Phys. Chem. A 2007, 111, 1155-1162
    • (2007) J. Phys. Chem. A , vol.111 , pp. 1155-1162
    • Vener, M.V.1    Manaev, A.V.2    Egorova, A.N.3    Tsirelson, V.G.4
  • 72
    • 77149150315 scopus 로고    scopus 로고
    • Universal Features of the Electron Density Distribution in Hydrogen-Bonding Regions: A Comprehensive Study Involving H·· ·X (X = H, C, N, O, F, S, Cl, π) Interactions
    • Mata, I.; Alkorta, I.; Molins, E.; Espinosa, E. Universal Features of the Electron Density Distribution in Hydrogen-Bonding Regions: A Comprehensive Study Involving H···X (X = H, C, N, O, F, S, Cl, π) Interactions Chem. Eur. J. 2010, 16, 2442-2452
    • (2010) Chem. Eur. J. , vol.16 , pp. 2442-2452
    • Mata, I.1    Alkorta, I.2    Molins, E.3    Espinosa, E.4
  • 73
    • 80255127346 scopus 로고    scopus 로고
    • Insight into the Nature of the Interactions of Furan and Thiophene with Hydrogen Halides and Lithium Halides: Ab Initio and QTAIM Studies
    • Zeng, Y.; Li, X.; Zhang, X.; Zheng, S.; Meng, L. Insight into the Nature of the Interactions of Furan and Thiophene with Hydrogen Halides and Lithium Halides: Ab Initio and QTAIM Studies J. Mol. Model 2011, 17, 2907-2918
    • (2011) J. Mol. Model , vol.17 , pp. 2907-2918
    • Zeng, Y.1    Li, X.2    Zhang, X.3    Zheng, S.4    Meng, L.5
  • 74
    • 38349089321 scopus 로고    scopus 로고
    • Bond length and the electron density at the bond critical point: X-X, Z-Z, and C-Z bonds (X = Li-F, Z = Na-Cl)
    • Castillo, N.; Robertson, K. N.; Choi, S. C.; Boyd, R. J.; Knop, O. Bond length and the electron density at the bond critical point: X-X, Z-Z, and C-Z bonds (X = Li-F, Z = Na-Cl) J. Comput. Chem. 2008, 29, 367-379
    • (2008) J. Comput. Chem. , vol.29 , pp. 367-379
    • Castillo, N.1    Robertson, K.N.2    Choi, S.C.3    Boyd, R.J.4    Knop, O.5
  • 75
    • 33847801737 scopus 로고
    • Spatial localization of the electronic pair and number distributions in molecules
    • Bader, R. F. W.; Stephens, M. E. Spatial localization of the electronic pair and number distributions in molecules J. Am. Chem. Soc. 1975, 97, 7391-7399
    • (1975) J. Am. Chem. Soc. , vol.97 , pp. 7391-7399
    • Bader, R.F.W.1    Stephens, M.E.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.