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La ricerca find articoli where authors phrase all words ' Bauschlicher, CW' sort by level,fasc_key/DESCEND, pagina_ini_num/ASCEND ha restituito 159 riferimenti
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    1. Ricca, A; Bauschlicher, CW
      A correlation-consistent basis set for Fe

      THEORETICAL CHEMISTRY ACCOUNTS
    2. Salama, F; Bauschlicher, CW
      Molecular spectroscopy in astrophysics - Preface

      SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
    3. Hudgins, DM; Bauschlicher, CW; Allamandola, LJ
      Closed-shell polycyclic aromatic hydrocarbon cations: a new category of interstellar polycyclic aromatic hydrocarbons

      SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
    4. Bauschlicher, CW; Ram, RS; Bernath, PF; Parsons, CG; Galehouse, D
      The A (6)Sigma(+)-X (6)Sigma(+) transition of CrH, Einstein coefficients, and an improved description of the A state

      JOURNAL OF CHEMICAL PHYSICS
    5. Martin, JML; Bauschlicher, CW; Ricca, A
      On the integration accuracy in molecular density functional theory calculations using Gaussian basis sets

      COMPUTER PHYSICS COMMUNICATIONS
    6. Zhou, MF; Andrews, L; Bauschlicher, CW
      Spectroscopic and theoretical investigations of vibrational frequencies inbinary unsaturated transition-metal carbonyl cations, neutrals, and anions

      CHEMICAL REVIEWS
    7. Dyall, KG; Bauschlicher, CW; Schwenke, DW; Pyykko, P
      Is the Lamb shift chemically significant?

      CHEMICAL PHYSICS LETTERS
    8. Rosi, M; Bauschlicher, CW
      Using hydrogen and chlorine on Si(111) to store data, an improved model

      CHEMICAL PHYSICS LETTERS
    9. Ricca, A; Bauschlicher, CW; Rosi, M
      Mechanisms for the incorporation of a nitrogen atom into polycyclic aromatic hydrocarbon cations

      CHEMICAL PHYSICS LETTERS
    10. Bauschlicher, CW; Partridge, H
      On interpreting the photoelectron spectra of MgO-

      CHEMICAL PHYSICS LETTERS
    11. Bauschlicher, CW; So, CR
      Using hydrogen and chlorine on Si(111) to store data

      CHEMICAL PHYSICS LETTERS
    12. Walch, SP; Bauschlicher, CW; Ricca, A; Bakes, ELO
      On the reaction CH2O+NH3 -> CH2NH+H2O

      CHEMICAL PHYSICS LETTERS
    13. Bakes, ELO; Tielens, AGGM; Bauschlicher, CW; Hudgins, DM; Allamandola, LJ
      Theoretical modeling of infrared emission from neutral and charged polycyclic aromatic hydrocarbons. II.

      ASTROPHYSICAL JOURNAL
    14. Bakes, ELO; Tielens, AGGM; Bauschlicher, CW
      Theoretical modeling of infrared emission from neutral and charged polycyclic aromatic hydrocarbons. I.

      ASTROPHYSICAL JOURNAL
    15. Andrews, L; Zhou, MF; Wang, XF; Bauschlicher, CW
      Matrix infrared spectra and density functional calculations of manganese and rhenium carbonyl neutral and anion complexes

      JOURNAL OF PHYSICAL CHEMISTRY A
    16. Bauschlicher, CW; Ricca, A
      Heats of formation for cyclic C4Fn, n=4-8, and their cations

      JOURNAL OF PHYSICAL CHEMISTRY A
    17. Bauschlicher, CW
      TaFn and TaCln atomization energies for n=1-5

      JOURNAL OF PHYSICAL CHEMISTRY A
    18. Bauschlicher, CW; Ricca, A
      Heats of formation for CnFm, CnFm+, CHFm, and CHFm+

      JOURNAL OF PHYSICAL CHEMISTRY A
    19. Bauschlicher, CW; Zhou, MF; Andrews, L
      A study of the products of the reaction of phosphorus and dioxygen

      JOURNAL OF PHYSICAL CHEMISTRY A
    20. Hudgins, DM; Bauschlicher, CW; Allamandola, LJ; Fetzer, JC
      Infrared spectroscopy of matrix-isolated polycyclic aromatic hydrocarbon ions. 5. PAHs incorporating a cyclopentadienyl ring

      JOURNAL OF PHYSICAL CHEMISTRY A
    21. Bauschlicher, CW
      The scalar relativistic contribution to the atomization energies of CF, CF4, and SiF4

      JOURNAL OF PHYSICAL CHEMISTRY A
    22. Bauschlicher, CW; Bakes, ELO
      Infrared spectra of polycyclic aromatic hydrocarbons (PAHs)

      CHEMICAL PHYSICS
    23. Ricca, A; Bauschlicher, CW
      The reactions of polycyclic aromatic hydrocarbons with OH

      CHEMICAL PHYSICS LETTERS
    24. Bauschlicher, CW; Ricca, A
      Mechanisms for polycyclic aromatic hydrocarbon (PAH) growth

      CHEMICAL PHYSICS LETTERS
    25. Bauschlicher, CW
      Hydrogen and fluorine binding to the sidewalls of a (10,0) carbon nanotube

      CHEMICAL PHYSICS LETTERS
    26. Bauschlicher, CW
      TiCl, TiH, and TiH+ bond energies: a test of a correlation-consistent Ti basis set

      THEORETICAL CHEMISTRY ACCOUNTS
    27. Bauschlicher, CW; Hudgins, DM; Allamandola, LJ
      The infrared spectra of polycyclic aromatic hydrocarbons containing a five-membered ring: symmetry breaking and the B3LYP functional

      THEORETICAL CHEMISTRY ACCOUNTS
    28. Bauschlicher, CW
      The scalar relativistic contribution to gallium halide bond energies

      THEORETICAL CHEMISTRY ACCOUNTS
    29. Rodriguez-Santiago, L; Bauschlicher, CW
      The electronic spectra of CaN2+ and Ca(N-2)(2)(+)

      SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
    30. Allendorf, MD; Melius, CF; Bauschlicher, CW
      Heats of formation and bond energies in group III compounds

      JOURNAL DE PHYSIQUE IV
    31. Kushto, GP; Zhou, MF; Andrews, L; Bauschlicher, CW
      An infrared spectroscopic and density functional theoretical investigationof the reaction products of laser-ablated scandium and titanium atoms withnitric oxide

      JOURNAL OF PHYSICAL CHEMISTRY A
    32. Ricca, A; Bauschlicher, CW
      Heats of formation for GeHn (n=1-4) and Ge2Hn (n=1-6)

      JOURNAL OF PHYSICAL CHEMISTRY A
    33. Bauschlicher, CW
      Heats of formation for POn and POnH (n=1-3)

      JOURNAL OF PHYSICAL CHEMISTRY A
    34. Bauschlicher, CW; Martin, JML; Taylor, PR
      Boron heat of formation revisited: Relativistic effects on the BF3 atomization energy

      JOURNAL OF PHYSICAL CHEMISTRY A
    35. Andrews, L; Zhou, MF; Chertihin, GV; Bauschlicher, CW
      Reactions of laser-ablated Y and La atoms, cations and electrons with O-2.Infrared spectra and density functional calculations of the MO, MO+, MO2, MO2+, and MO2- species in solid argon

      JOURNAL OF PHYSICAL CHEMISTRY A
    36. Bauschlicher, CW
      Accurate indium bond energies

      JOURNAL OF PHYSICAL CHEMISTRY A
    37. Bauschlicher, CW; Zhou, MF; Andrews, L; Johnson, JRT; Panas, I; Snis, A; Roos, BO
      A further study of the products of scandium and dioxygen reactions

      JOURNAL OF PHYSICAL CHEMISTRY A
    38. Bauschlicher, CW; Ricca, A
      Accurate heats of formation for BFn, BFn+, BCln, and BCln(+) for n=1-3

      JOURNAL OF PHYSICAL CHEMISTRY A
    39. Yamada, T; Bauschlicher, CW; Partridge, H
      Substrate for atomic chain electronics

      PHYSICAL REVIEW B-CONDENSED MATTER
    40. Ricca, A; Bauschlicher, CW; Kang, JK; Musgrave, CB
      Hydrogen abstraction from a diamond(111) surface in a uniform electric field

      SURFACE SCIENCE
    41. Bauschlicher, CW; Langhoff, SR
      Bond dissociation energies for substituted polycyclic aromatic hydrocarbons and their cations

      MOLECULAR PHYSICS
    42. Partridge, H; Bauschlicher, CW
      The dissociation energies of He-2, HeH, and ArH: a bond function study

      MOLECULAR PHYSICS
    43. Bauschlicher, CW; Melius, CF; Allendorf, MD
      Gallium compounds, a possible problem for the G2 approaches

      JOURNAL OF CHEMICAL PHYSICS
    44. Bauschlicher, CW; Ricca, A
      The heat of formation of C2F4

      CHEMICAL PHYSICS LETTERS
    45. Bauschlicher, CW
      Correlation consistent basis sets for indium

      CHEMICAL PHYSICS LETTERS
    46. Bauschlicher, CW; Partridge, H
      The atomization energy of Mg-4

      CHEMICAL PHYSICS LETTERS
    47. Bauschlicher, CW
      The reaction of polycyclic aromatic hydrocarbon cations with hydrogen atoms: The astrophysical implications (vol 509, pg L125, 1998)

      ASTROPHYSICAL JOURNAL
    48. Allamandola, LJ; Hudgins, DM; Bauschlicher, CW; Langhoff, SR
      Carbon chain abundance in the diffuse interstellar medium

      ASTRONOMY AND ASTROPHYSICS
    49. BAUSCHLICHER CW; ROSI M
      DIFFERENTIATING BETWEEN H AND F OR H AND CN ON C(111) OR SI(111) SURFACES

      JOURNAL OF PHYSICAL CHEMISTRY B
    50. ROSI M; BAUSCHLICHER CW; CHERTIHIN GV; ANDREWS L
      THE VIBRATIONAL FREQUENCIES OF CAO2, SCO2, AND TIO2 - A COMPARISON OFTHEORETICAL METHODS

      Theoretical chemistry accounts
    51. LANGHOFF SR; BAUSCHLICHER CW; HUDGINS DM; SANDFORD SA; ALLAMANDOLA LJ
      INFRARED-SPECTRA OF SUBSTITUTED POLYCYCLIC AROMATIC-HYDROCARBONS

      The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory
    52. RICCA A; BAUSCHLICHER CW
      ACCURATE HEATS OF FORMATION FOR SIFN AND SIFN-4(, FOR N=1)

      The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory
    53. BAUSCHLICHER CW; RICCA A
      ATOMIZATION ENERGIES OF SO AND SO2 - BASIS-SET EXTRAPOLATION REVISITED

      The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory
    54. BAUSCHLICHER CW; RICCA A
      ACCURATE HEATS OF FORMATION FOR SFN, SFN- FOR N=1-6(, AND SFN)

      The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory
    55. Bauschlicher, CW
      Heats of formation of GaCl3 and its fragments

      JOURNAL OF PHYSICAL CHEMISTRY A
    56. GLOBUS A; BAUSCHLICHER CW; HAN J; JAFFE RL; LEVIT C; SRIVASTAVA D
      MACHINE PHASE FULLERENE NANOTECHNOLOGY

      Nanotechnology (Bristol. Print)
    57. BAUSCHLICHER CW; LANGHOFF SR
      INFRARED-SPECTRA OF POLYCYCLIC AROMATIC-HYDROCARBONS - METHYL SUBSTITUTION AND LOSS OF H

      Chemical physics
    58. BAUSCHLICHER CW
      INFRARED-SPECTRA OF POLYCYCLIC AROMATIC-HYDROCARBONS - NITROGEN SUBSTITUTION

      Chemical physics
    59. BAUSCHLICHER CW
      INFRARED-SPECTRA OF POLYCYCLIC AROMATIC-HYDROCARBONS - OXYGEN SUBSTITUTION

      Chemical physics
    60. BAUSCHLICHER CW; PARTRIDGE H
      A COMPARISON OF ZNO AND ZNO-

      The Journal of chemical physics
    61. BAUSCHLICHER CW; PARTRIDGE H
      DO BOND FUNCTIONS HELP FOR THE CALCULATION OF ACCURATE BOND-ENERGIES

      The Journal of chemical physics
    62. BAUSCHLICHER CW
      QCISD(T) AND B3LYP CAN CORRECTLY DESCRIBE THE EA OF B, AL, AND GA

      International journal of quantum chemistry
    63. RICCA A; BAUSCHLICHER CW
      ACCURATE D-0 VALUES FOR SIF AND SIF+

      Chemical physics letters
    64. RICCA A; BAUSCHLICHER CW
      ACCURATE HEATS OF FORMATION FOR PHN, PHN-(, AND PHN)

      Chemical physics letters
    65. BAUSCHLICHER CW; PARTRIDGE H
      THE SC-OH AND SC+-OCH3 BOND-ENERGIES IN SCOH+, SCOCH3+, SC(OH)(2)(+),SCOHOCH3+, AND SC(OCH)(2)(+)()

      Chemical physics letters
    66. Bauschlicher, CW
      The reaction of polycyclic aromatic hydrocarbon cations with hydrogen atoms: The astrophysical implications

      ASTROPHYSICAL JOURNAL
    67. CHERTIHIN GV; ANDREWS L; BAUSCHLICHER CW
      REACTIONS OF LASER-ABLATED SCANDIUM ATOMS WITH NITROGEN - MATRIX INFRARED-SPECTRA AND DFT CALCULATIONS FOR SCANDIUM NITRIDES AND THE FIXATION OF NITROGEN BY 2 SCANDIUM ATOMS

      Journal of the American Chemical Society
    68. LEE TJ; BAUSCHLICHER CW; JAYATILAKA D
      A CHALLENGE FOR DENSITY-FUNCTIONAL THEORY - THE XONO AND XNO2 (X=F, CL, AND BR) MOLECULES

      Theoretical chemistry accounts
    69. BAUSCHLICHER CW; ROSI M
      DIFFERENTIATING BETWEEN HYDROGEN AND FLUORINE ON A DIAMOND SURFACE

      Theoretical chemistry accounts
    70. BAUSCHLICHER CW
      IS THE (C)OVER-TILDE STATE OF CH2 LINEAR OR BENT

      Theoretical chemistry accounts
    71. BAUSCHLICHER CW; LANGHOFF SR
      THE CALCULATION OF ACCURATE HARMONIC FREQUENCIES OF LARGE MOLECULES -THE POLYCYCLIC AROMATIC-HYDROCARBONS, A CASE-STUDY

      SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
    72. THUMMEL HT; BAUSCHLICHER CW
      ON THE REACTION OF FNO2 WITH CH3, TERT-BUTYL, AND C13H21

      The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory
    73. CHERTIHIN GV; ANDREWS L; ROSI M; BAUSCHLICHER CW
      REACTIONS OF LASER-ABLATED SCANDIUM ATOMS WITH DIOXYGEN - INFRARED-SPECTRA OF SCO, OSCO, (O-2)SCO, (SCO)(2), AND SC(O-2)(2) IN SOLID ARGON

      The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory
    74. CHERTIHIN GV; CITRA A; ANDREWS L; BAUSCHLICHER CW
      REACTIONS OF LASER-ABLATED COBALT ATOMS WITH O-2 - INFRARED-SPECTRA OF COBALT OXIDES IN SOLID ARGON

      The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory
    75. RICCA A; BAUSCHLICHER CW
      SUCCESSIVE OH BINDING-ENERGIES OF M(OH)(N)(-3 AND M=SC, TI, V, CO, NI, AND CU() FOR N=1)

      The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory
    76. THOMAS JLC; BAUSCHLICHER CW; HALL MB
      BINDING OF NITRIC-OXIDE TO FIRST-TRANSITION-ROW METAL-CATIONS - AN AB-INITIO STUDY

      The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory
    77. SODUPE M; BRANCHADELL V; ROSI M; BAUSCHLICHER CW
      THEORETICAL-STUDY OF M-CO2 AND OM+CO SYSTEMS FOR FIRST TRANSITION ROWMETAL ATOMS()

      The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory
    78. CHERTIHIN GV; ANDREWS L; BAUSCHLICHER CW
      REACTIONS OF LASER-ABLATED COPPER ATOMS WITH DIOXYGEN - INFRARED-SPECTRA OF THE COPPER OXIDES CUO, OCUO, CUOCUO, AND OCUOCUO AND SUPEROXIDECUOO IN SOLID ARGON

      The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory
    79. BAUSCHLICHER CW; LANGHOFF SR; SANDFORD SA; HUDGINS DM
      INFRARED-SPECTRA OF PERDEUTERATED NAPHTHALENE, PHENANTHRENE, CHRYSENE, AND PYRENE

      The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory
    80. BAUSCHLICHER CW; RICCA A; MERKLE R
      CHEMICAL-STORAGE OF DATA

      Nanotechnology
    81. RICCA A; BAUSCHLICHER CW
      THE STRUCTURE AND STABILITY OF BNH+ CLUSTERS

      The Journal of chemical physics
    82. BAUSCHLICHER CW
      THE EFFECT OF AN ELECTRIC-FIELD ON THE VIBRATIONAL FREQUENCY OF CN

      International journal of quantum chemistry
    83. BAUSCHLICHER CW; PARTRIDGE H
      THE HEATS OF FORMATION OF SICLN+, FOR N=1-4

      Chemical physics letters
    84. BAUSCHLICHER CW
      DISPLACEMENT ENERGIES FOR NANORODS

      Chemical physics letters
    85. BAUSCHLICHER CW; PARTRIDGE H
      THE SUCCESSIVE OH BINDING-ENERGIES OF SC(OH)(N)(-3() FOR N=1)

      Chemical physics letters
    86. BAUSCHLICHER CW
      THE DISSOCIATION-ENERGIES OF FEF, FECL, AND FEBR AND THEIR POSITIVE-IONS

      Chemical physics
    87. RICCA A; BAUSCHLICHER CW
      THE STRUCTURE AND STABILITY OF B-N(+) CLUSTERS

      Chemical physics
    88. BAUSCHLICHER CW
      THE STRUCTURE OF LI-7(-) AND K-7(-)

      Chemical physics
    89. XU YC; GARCIA E; FREISER BS; BAUSCHLICHER CW
      EXPERIMENTAL AND THEORETICAL-STUDIES OF FEC7H7- FE+-C7H7 BOND-ENERGIES AND ISOMERIC DIFFERENTIATION( ISOMERS )

      International journal of mass spectrometry and ion processes
    90. ANDREWS L; CHERTIHIN GV; THOMPSON CA; DILLON J; BYRNE S; BAUSCHLICHER CW
      INFRARED-SPECTRA AND QUANTUM-CHEMICAL CALCULATIONS OF GROUP-2 MO(2), O(2)MO(2), AND RELATED MOLECULES

      Journal of physical chemistry
    91. CHERTIHIN GV; SAFFEL W; YUSTEIN JT; ANDREWS L; NEUROCK M; RICCA A; BAUSCHLICHER CW
      REACTIONS OF LASER-ABLATED IRON ATOMS WITH OXYGEN MOLECULES IN CONDENSING ARGON - INFRARED-SPECTRA AND DENSITY-FUNCTIONAL CALCULATIONS OF IRON-OXIDE PRODUCT MOLECULES

      Journal of physical chemistry
    92. BAUSCHLICHER CW; PARTRIDGE H
      A MODIFICATION OF THE GAUSSIAN-2 APPROACH USING DENSITY-FUNCTIONAL THEORY (VOL 103, PG 1788, 1995)

      The Journal of chemical physics
    93. BAUSCHLICHER CW
      THE B(H-2)(N)-H-2 BINDING-ENERGIES, FOR N=0-3

      Chemical physics letters
    94. BAUSCHLICHER CW
      ON THE PHOTOELECTRON-SPECTRUM OF LI-4(-)

      Chemical physics letters
    95. BAUSCHLICHER CW; PARTRIDGE H
      THE ELECTRONIC EXCITED-STATES OF BN

      Chemical physics letters
    96. ANDERSSON K; BAUSCHLICHER CW; PERSSON BJ; ROOS BO
      THE STRUCTURE OF DICHROMIUM TETRAFORMATE

      Chemical physics letters
    97. BAUSCHLICHER CW
      ON THE GROUND-STATE OF MNCO-

      Chemical physics letters
    98. ANDREWS L; CHERTIHIN GV; RICCA A; BAUSCHLICHER CW
      REACTIONS OF LASER-ABLATED IRON ATOMS WITH OXYGEN MOLECULES - MATRIX INFRARED-SPECTRA AND DENSITY-FUNCTIONAL CALCULATIONS OF OFEO, FEOO, AND FE(O-2)

      Journal of the American Chemical Society
    99. RICCA A; BAUSCHLICHER CW
      THE LOW-LYING ELECTRONIC STATES OF YCU

      Chemical physics
    100. BAUSCHLICHER CW
      LARGE ATOMIC NATURAL ORBITAL BASIS-SETS FOR THE FIRST TRANSITION ROW ATOMS

      Theoretica Chimica Acta


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Documento generato il 23/01/21 alle ore 00:06:27