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A correlation-consistent basis set for Fe
THEORETICAL CHEMISTRY ACCOUNTS
Molecular spectroscopy in astrophysics - Preface
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
Closed-shell polycyclic aromatic hydrocarbon cations: a new category of interstellar polycyclic aromatic hydrocarbons
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
The A (6)Sigma(+)-X (6)Sigma(+) transition of CrH, Einstein coefficients, and an improved description of the A state
JOURNAL OF CHEMICAL PHYSICS
On the integration accuracy in molecular density functional theory calculations using Gaussian basis sets
COMPUTER PHYSICS COMMUNICATIONS
Spectroscopic and theoretical investigations of vibrational frequencies inbinary unsaturated transition-metal carbonyl cations, neutrals, and anions
CHEMICAL REVIEWS
Is the Lamb shift chemically significant?
CHEMICAL PHYSICS LETTERS
Using hydrogen and chlorine on Si(111) to store data, an improved model
CHEMICAL PHYSICS LETTERS
Mechanisms for the incorporation of a nitrogen atom into polycyclic aromatic hydrocarbon cations
CHEMICAL PHYSICS LETTERS
On interpreting the photoelectron spectra of MgO-
CHEMICAL PHYSICS LETTERS
Using hydrogen and chlorine on Si(111) to store data
CHEMICAL PHYSICS LETTERS
On the reaction CH2O+NH3 -> CH2NH+H2O
CHEMICAL PHYSICS LETTERS
Theoretical modeling of infrared emission from neutral and charged polycyclic aromatic hydrocarbons. II.
ASTROPHYSICAL JOURNAL
Theoretical modeling of infrared emission from neutral and charged polycyclic aromatic hydrocarbons. I.
ASTROPHYSICAL JOURNAL
Matrix infrared spectra and density functional calculations of manganese and rhenium carbonyl neutral and anion complexes
JOURNAL OF PHYSICAL CHEMISTRY A
Heats of formation for cyclic C4Fn, n=4-8, and their cations
JOURNAL OF PHYSICAL CHEMISTRY A
TaFn and TaCln atomization energies for n=1-5
JOURNAL OF PHYSICAL CHEMISTRY A
Heats of formation for CnFm, CnFm+, CHFm, and CHFm+
JOURNAL OF PHYSICAL CHEMISTRY A
A study of the products of the reaction of phosphorus and dioxygen
JOURNAL OF PHYSICAL CHEMISTRY A
Infrared spectroscopy of matrix-isolated polycyclic aromatic hydrocarbon ions. 5. PAHs incorporating a cyclopentadienyl ring
JOURNAL OF PHYSICAL CHEMISTRY A
The scalar relativistic contribution to the atomization energies of CF, CF4, and SiF4
JOURNAL OF PHYSICAL CHEMISTRY A
Infrared spectra of polycyclic aromatic hydrocarbons (PAHs)
CHEMICAL PHYSICS
The reactions of polycyclic aromatic hydrocarbons with OH
CHEMICAL PHYSICS LETTERS
Mechanisms for polycyclic aromatic hydrocarbon (PAH) growth
CHEMICAL PHYSICS LETTERS
Hydrogen and fluorine binding to the sidewalls of a (10,0) carbon nanotube
CHEMICAL PHYSICS LETTERS
TiCl, TiH, and TiH+ bond energies: a test of a correlation-consistent Ti basis set
THEORETICAL CHEMISTRY ACCOUNTS
The infrared spectra of polycyclic aromatic hydrocarbons containing a five-membered ring: symmetry breaking and the B3LYP functional
THEORETICAL CHEMISTRY ACCOUNTS
The scalar relativistic contribution to gallium halide bond energies
THEORETICAL CHEMISTRY ACCOUNTS
The electronic spectra of CaN2+ and Ca(N-2)(2)(+)
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
Heats of formation and bond energies in group III compounds
JOURNAL DE PHYSIQUE IV
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
Heats of formation for GeHn (n=1-4) and Ge2Hn (n=1-6)
JOURNAL OF PHYSICAL CHEMISTRY A
Heats of formation for POn and POnH (n=1-3)
JOURNAL OF PHYSICAL CHEMISTRY A
Boron heat of formation revisited: Relativistic effects on the BF3 atomization energy
JOURNAL OF PHYSICAL CHEMISTRY A
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
Accurate indium bond energies
JOURNAL OF PHYSICAL CHEMISTRY A
A further study of the products of scandium and dioxygen reactions
JOURNAL OF PHYSICAL CHEMISTRY A
Accurate heats of formation for BFn, BFn+, BCln, and BCln(+) for n=1-3
JOURNAL OF PHYSICAL CHEMISTRY A
Substrate for atomic chain electronics
PHYSICAL REVIEW B-CONDENSED MATTER
Hydrogen abstraction from a diamond(111) surface in a uniform electric field
SURFACE SCIENCE
Bond dissociation energies for substituted polycyclic aromatic hydrocarbons and their cations
MOLECULAR PHYSICS
The dissociation energies of He-2, HeH, and ArH: a bond function study
MOLECULAR PHYSICS
Gallium compounds, a possible problem for the G2 approaches
JOURNAL OF CHEMICAL PHYSICS
The heat of formation of C2F4
CHEMICAL PHYSICS LETTERS
Correlation consistent basis sets for indium
CHEMICAL PHYSICS LETTERS
The atomization energy of Mg-4
CHEMICAL PHYSICS LETTERS
The reaction of polycyclic aromatic hydrocarbon cations with hydrogen atoms: The astrophysical implications (vol 509, pg L125, 1998)
ASTROPHYSICAL JOURNAL
Carbon chain abundance in the diffuse interstellar medium
ASTRONOMY AND ASTROPHYSICS
DIFFERENTIATING BETWEEN H AND F OR H AND CN ON C(111) OR SI(111) SURFACES
JOURNAL OF PHYSICAL CHEMISTRY B
THE VIBRATIONAL FREQUENCIES OF CAO2, SCO2, AND TIO2 - A COMPARISON OFTHEORETICAL METHODS
Theoretical chemistry accounts
INFRARED-SPECTRA OF SUBSTITUTED POLYCYCLIC AROMATIC-HYDROCARBONS
The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory
ACCURATE HEATS OF FORMATION FOR SIFN AND SIFN-4(, FOR N=1)
The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory
ATOMIZATION ENERGIES OF SO AND SO2 - BASIS-SET EXTRAPOLATION REVISITED
The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory
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
Heats of formation of GaCl3 and its fragments
JOURNAL OF PHYSICAL CHEMISTRY A
MACHINE PHASE FULLERENE NANOTECHNOLOGY
Nanotechnology (Bristol. Print)
INFRARED-SPECTRA OF POLYCYCLIC AROMATIC-HYDROCARBONS - METHYL SUBSTITUTION AND LOSS OF H
Chemical physics
INFRARED-SPECTRA OF POLYCYCLIC AROMATIC-HYDROCARBONS - NITROGEN SUBSTITUTION
Chemical physics
INFRARED-SPECTRA OF POLYCYCLIC AROMATIC-HYDROCARBONS - OXYGEN SUBSTITUTION
Chemical physics
A COMPARISON OF ZNO AND ZNO-
The Journal of chemical physics
DO BOND FUNCTIONS HELP FOR THE CALCULATION OF ACCURATE BOND-ENERGIES
The Journal of chemical physics
QCISD(T) AND B3LYP CAN CORRECTLY DESCRIBE THE EA OF B, AL, AND GA
International journal of quantum chemistry
ACCURATE D-0 VALUES FOR SIF AND SIF+
Chemical physics letters
ACCURATE HEATS OF FORMATION FOR PHN, PHN-(, AND PHN)
Chemical physics letters
THE SC-OH AND SC+-OCH3 BOND-ENERGIES IN SCOH+, SCOCH3+, SC(OH)(2)(+),SCOHOCH3+, AND SC(OCH)(2)(+)()
Chemical physics letters
The reaction of polycyclic aromatic hydrocarbon cations with hydrogen atoms: The astrophysical implications
ASTROPHYSICAL JOURNAL
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
A CHALLENGE FOR DENSITY-FUNCTIONAL THEORY - THE XONO AND XNO2 (X=F, CL, AND BR) MOLECULES
Theoretical chemistry accounts
DIFFERENTIATING BETWEEN HYDROGEN AND FLUORINE ON A DIAMOND SURFACE
Theoretical chemistry accounts
IS THE (C)OVER-TILDE STATE OF CH2 LINEAR OR BENT
Theoretical chemistry accounts
THE CALCULATION OF ACCURATE HARMONIC FREQUENCIES OF LARGE MOLECULES -THE POLYCYCLIC AROMATIC-HYDROCARBONS, A CASE-STUDY
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
ON THE REACTION OF FNO2 WITH CH3, TERT-BUTYL, AND C13H21
The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory
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
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
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
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
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
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
INFRARED-SPECTRA OF PERDEUTERATED NAPHTHALENE, PHENANTHRENE, CHRYSENE, AND PYRENE
The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory
CHEMICAL-STORAGE OF DATA
Nanotechnology
THE STRUCTURE AND STABILITY OF BNH+ CLUSTERS
The Journal of chemical physics
THE EFFECT OF AN ELECTRIC-FIELD ON THE VIBRATIONAL FREQUENCY OF CN
International journal of quantum chemistry
THE HEATS OF FORMATION OF SICLN+, FOR N=1-4
Chemical physics letters
DISPLACEMENT ENERGIES FOR NANORODS
Chemical physics letters
THE SUCCESSIVE OH BINDING-ENERGIES OF SC(OH)(N)(-3() FOR N=1)
Chemical physics letters
THE DISSOCIATION-ENERGIES OF FEF, FECL, AND FEBR AND THEIR POSITIVE-IONS
Chemical physics
THE STRUCTURE AND STABILITY OF B-N(+) CLUSTERS
Chemical physics
THE STRUCTURE OF LI-7(-) AND K-7(-)
Chemical physics
EXPERIMENTAL AND THEORETICAL-STUDIES OF FEC7H7- FE+-C7H7 BOND-ENERGIES AND ISOMERIC DIFFERENTIATION( ISOMERS )
International journal of mass spectrometry and ion processes
INFRARED-SPECTRA AND QUANTUM-CHEMICAL CALCULATIONS OF GROUP-2 MO(2), O(2)MO(2), AND RELATED MOLECULES
Journal of physical chemistry
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
A MODIFICATION OF THE GAUSSIAN-2 APPROACH USING DENSITY-FUNCTIONAL THEORY (VOL 103, PG 1788, 1995)
The Journal of chemical physics
THE B(H-2)(N)-H-2 BINDING-ENERGIES, FOR N=0-3
Chemical physics letters
ON THE PHOTOELECTRON-SPECTRUM OF LI-4(-)
Chemical physics letters
THE ELECTRONIC EXCITED-STATES OF BN
Chemical physics letters
THE STRUCTURE OF DICHROMIUM TETRAFORMATE
Chemical physics letters
ON THE GROUND-STATE OF MNCO-
Chemical physics letters
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
THE LOW-LYING ELECTRONIC STATES OF YCU
Chemical physics
LARGE ATOMIC NATURAL ORBITAL BASIS-SETS FOR THE FIRST TRANSITION ROW ATOMS
Theoretica Chimica Acta