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The acenes: Is there a relationship between aromatic stabilization and reactivity?
ORGANIC LETTERS
Lanczos subspace filter diagonalization: Homogeneous recursive filtering and a low-storage method for the calculation of matrix elements
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Aromaticity and homoaromaticity of annulene ring carbomers
NEW JOURNAL OF CHEMISTRY
B-13(+) is highly aromatic
JOURNAL OF PHYSICAL CHEMISTRY A
A simple (n,m)-type estimate of the total pi-electron energy
INDIAN JOURNAL OF CHEMISTRY SECTION A-INORGANIC BIO-INORGANIC PHYSICAL THEORETICAL & ANALYTICAL CHEMISTRY
Aromaticity indices revisited: refinement and application to certain five-membered ring heterocycles
TETRAHEDRON
A single Lanczos propagation method for calculating transition amplitudes.III. S-matrix elements with a complex-symmetric Hamiltonian
JOURNAL OF CHEMICAL PHYSICS
Strain relaxation in AlGaN/GaN superlattices grown on GaN
JOURNAL OF APPLIED PHYSICS
Structure and stability of X4Y4H4 (XY = CC, BN)
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
Efficient method to perform CAP/CI calculations for temporary anions
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
Aromatic character of deltahedral borane dianions revisited
INORGANIC CHEMISTRY
Metalloaromaticity
COORDINATION CHEMISTRY REVIEWS
Stable and efficient evaluation of Green's function in scattering problem
COMPUTER PHYSICS COMMUNICATIONS
Measuring aromaticity by NMR
CHEMICAL REVIEWS
Quantitative measures of aromaticity for mono-, bi-, and tricyclic penta- and hexaatomic heteroaromatic ring systems and their interrelationships
CHEMICAL REVIEWS
A different story of pi-delocalization - The distortivity of pi-electrons and its chemical manifestations
CHEMICAL REVIEWS
Saddle-node states in the spectra of HCO and DCO: a periodic orbit classification of vibrational levels
CHEMICAL PHYSICS LETTERS
Kinetic stability of carbon cages in non-classical metallofullerenes
CHEMICAL PHYSICS LETTERS
Butalene and related compounds: Aromatic or antiaromatic?
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
Synthesis and properties of 9-alkyl- and 9-arylcyclopenta[a]phenalenes
ORGANIC LETTERS
Multicenter bond indices as a measure of aromaticity
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Correlation found between the HOMO-LUMO energy separation and the chemicalreactivity at the most reactive site for isolated-pentagon isomers of fullerenes
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
The equivalence of bond-energy schemes and the determination of resonance energies
THEORETICAL CHEMISTRY ACCOUNTS
State-resolved dynamics of dissociation of triplet acetaldehyde: Rate of appearance of fragment HCO and decay of excited states of parent molecule
JOURNAL OF PHYSICAL CHEMISTRY A
Nonexponential unimolecular decay of jet-cooled NO2: Comparison of time-resolved measurements and quantum mechanical calculations
JOURNAL OF PHYSICAL CHEMISTRY A
Lifetimes of metastable dianions: CN22-, C-4(2-), and CO32-
JOURNAL OF PHYSICAL CHEMISTRY A
Ab initio characterization of the HCOx (x = -1, 0, +1) species: Structures, vibrational frequencies, CH pond dissociation energies, and HCO ionization potential and electron affinity
JOURNAL OF PHYSICAL CHEMISTRY A
CO product distribution in the unimolecular dissociation of HCO
SCIENCE IN CHINA SERIES B-CHEMISTRY
The block-localized wavefunction method and its application
ACTA CHIMICA SINICA
The pair density description of aromaticity in some substituted cyclopentadienyl systems: a comparison of AIM and ELF bonding descriptors
CHEMICAL PHYSICS
The electron localization function description of aromaticity in five-membered rings
CHEMICAL PHYSICS
The valence bond calculations for conjugated hydrocarbons having 24-28 pi-electrons
JOURNAL OF COMPUTATIONAL CHEMISTRY
Kinetic instability of azafullerenes
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
Determining the stability of three-carbon carbocations and carbanions through computing ionization energies, electron affinities and frontier molecular orbital energy gaps for corresponding radicals, cations and anions
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
Characterization of aromatic hydrocarbons by means of average local ionization energies on their molecular surfaces
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
Novel synthesis of hexaaryl[3]radialenes via dibromo[3]dendralenes
TETRAHEDRON LETTERS
The molybdenum-mediated tandem Pauson-Khand reaction. High yield entry into [5.5.5.5]tetracyclic systems
TETRAHEDRON LETTERS
A theoretical study of aromaticity in squaramide and oxocarbons
TETRAHEDRON LETTERS
Global and local aromaticity of linear and angular polyacenes
TETRAHEDRON
Aromaticity: A theoretical concept of immense practical importance
TETRAHEDRON
Utility of the tandem Pauson-Khand reaction in the construction of tetracycles
JOURNAL OF ORGANIC CHEMISTRY
Low-energy electron attachment to fused 1,4-cyclohexadiene rings by means of electron transmission spectroscopy and exponent stabilization calculations
JOURNAL OF CHEMICAL PHYSICS
Renner-Teller induced photodissociation of HCO in the first absorption band: Determination of linewidths for the (A)over-tilde(2)A '' K=0,1 states byfilter-diagonalization
JOURNAL OF CHEMICAL PHYSICS
State-resolved dissociation dynamics of triplet acetaldehyde near the dissociation threshold to form CH3+HCO
JOURNAL OF CHEMICAL PHYSICS
Saddle-node bifurcations in the spectrum of HOCl
JOURNAL OF CHEMICAL PHYSICS
The Wiener polynomial derivatives and other topological indices in chemical research
CROATICA CHEMICA ACTA
Validity of the weighted HOMO-LUMO energy separation as an index of kinetic stability for fullerenes with up to 120 carbon atoms
PCCP PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Why are some polycyclic aromatic hydrocarbons extremely reactive?
PCCP PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Weighted HOMO-LUMO energy separation as an index of kinetic stability for fullerenes
THEORETICAL CHEMISTRY ACCOUNTS
Theoretical analysis of the internal rotation in aminoborane and borylphosphine
THEORETICAL CHEMISTRY ACCOUNTS
Reduced HOMO-LUMO gap as an index of kinetic stability for polycyclic aromatic hydrocarbons
JOURNAL OF PHYSICAL CHEMISTRY A
Weighted HOMO-LUMO energy separations for the polyene references of fullerenes with up to 100 carbon atoms
FULLERENE SCIENCE AND TECHNOLOGY
Kinetic instability of boron heterofullerenes
FULLERENE SCIENCE AND TECHNOLOGY
Optical properties of InGaN quantum wells
MATERIALS SCIENCE AND ENGINEERING B-SOLID STATE MATERIALS FOR ADVANCED TECHNOLOGY
Exploring the lowest energy triplet potential energy surface for cyclic C4H4 isomers with the complete basis set ab initio method. Is the transformation of triafulvene into cyclobutadiene possible in their excited states?
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
Raison d'etre of apparently antiaromatic 1,2-dithiin derivatives in nature
THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE
Algorithms for the count of linearly independent and minimal conjugated circuits in benzenoid hydrocarbons
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES
Effects of photo-excitation and organic vapor treatment on vapor sorption behavior of sputtered fluoropolymer films
THIN SOLID FILMS
Experimental determination of the antiaromaticity of cyclobutadiene
SCIENCE
Clar's aromatic sextet theory revisited via molecular electrostatic potential topography
JOURNAL OF ORGANIC CHEMISTRY
State-to-state unimolecular reaction dynamics of HOCl near the dissociation threshold: The role of vibrations, rotations, and IVR probed by time- andeigenstate-resolved spectroscopy
JOURNAL OF CHEMICAL PHYSICS
Quantum/classical time-dependent self-consistent field treatment of Ar+HCOinelastic and dissociative scattering
JOURNAL OF CHEMICAL PHYSICS
Beyond Born-Oppenheimer spectroscopic study for the C state of LiH
JOURNAL OF CHEMICAL PHYSICS
The unimolecular dissociation of HCO. IV. Variational calculation of Siegert states
JOURNAL OF CHEMICAL PHYSICS
Interpretation of 'pi energy' and its linear additivity in polyenes
BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN
Monocyclic heterocyclic biomolecules conform to the rule of topological charge stabilization
BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN
A reason of linear additivity of 'pi energy' in polyenes
BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN
Theoretical prediction of isolable fullerene isomers
BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN
Electronic decay of molecular clusters: non-stationary states computed by standard quantum chemistry methods
CHEMICAL PHYSICS LETTERS
Unimolecular dissociation of HOCl: unexpectedly broad distribution of rateconstants
CHEMICAL PHYSICS LETTERS
Conformations of [10]annulene: More bad news for density functional theoryand second-order perturbation theory
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
BANDGAP OSCILLATION IN POLYPHENANTHRENES
JOURNAL OF PHYSICAL CHEMISTRY B
EXCITON LOCALIZATION IN INGAN QUANTUM-WELL DEVICES
Journal of vacuum science & technology. B, Microelectronics and nanometer structures processing, measurement and phenomena
SIEGERT PSEUDOSTATE FORMULATION OF SCATTERING-THEORY - ONE-CHANNEL CASE
Physical review. A
LADDER CLIMBING AND MULTIPHOTON DISSOCIATION OF POLYATOMIC-MOLECULES EXCITED WITH SHORT PULSES - BASIC THEORY AND APPLICATIONS TO HCO
Physical review. A
PHOTOGENERATION OF ANTIAROMATIC 8-PI XANTHENIDE AND THIOXANTHENIDE (PI-EXCESSIVE) CARBANIONS VIA EXCITED-STATE CARBON ACID DEPROTONATION AND PHOTODECARBOXYLATION
Journal of photochemistry and photobiology. A, Chemistry
Stability of all molecular ions conceivable for C-60 and C-70
JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS
SYNTHESES, STRUCTURES, AND REACTIONS OF HIGHLY STRAINED DIHYDROACEPENTALENE AND TETRAHYDROACEPENTALENE DERIVATIVES
Chemistry (Weinheim)
DIFFERENTIAL RING PROTON NMR SHIELDINGS AND CYCLIC STABILIZATION ENERGIES
Chemical physics
ON THE HIERARCHY OF PI-ELECTRON MODELS
Polish Journal of Chemistry
CLAR POLYNOMIALS OF LARGE BENZENOID SYSTEMS
Journal of chemical information and computer sciences
HETEROAROMATICITY - 12 - A GROUP ADDITIVITY METHOD FOR THE DERIVATIONOF DIAMAGNETIC SUSCEPTIBILITY ENHANCEMENTS OF AROMATIC-HYDROCARBONS AND AZINES
Tetrahedron
Chemical graph polynomials. Part 4. Non-isomorphic graphs with identical acyclic polynomials
REVUE ROUMAINE DE CHIMIE
AROMATICITY AND ANTIAROMATICITY IN OLIGOCYCLIC ANNELATED 5-MEMBERED RING-SYSTEMS
Journal of organic chemistry
THEORETICAL-ANALYSIS OF ELECTRONIC DELOCALIZATION
The Journal of chemical physics
VIBRONIC STRUCTURE IN TRIATOMIC-MOLECULES - THE HYDROCARBON FLAME BANDS OF THE FORMYL RADICAL (HCO) - A THEORETICAL-STUDY
The Journal of chemical physics
NEW ASPECTS IN THE THEORY OF PI-ELECTRON SYSTEMS ON THE BASIS OF QUANTUM-STATISTICAL CONSIDERATIONS
International journal of quantum chemistry
STABILITY AND 3-DIMENSIONAL AROMATICITY OF CLOSO-MONOCARBABORANE ANIONS, CBN-1HN-, AND CLOSO-DICARBORANES, C2BN-2HN
Inorganic chemistry
The large closo-borane dianions, BnHn2- (n = 13-17) are aromatic, why are they unknown?
INORGANIC CHEMISTRY
APPLICATION OF THE ORBITAL DELETION PROCEDURE (ODP) TO PLANAR CARBOCATIONS
Chemical physics letters
UNIMOLECULAR DISSOCIATION - A STATE-SPECIFIC QUANTUM-MECHANICAL PERSPECTIVE
Berichte der Bunsengesellschaft fur Physikalische Chemie
EFFECTIVE BAND-GAP INHOMOGENEITY AND PIEZOELECTRIC FIELD IN INGAN GANMULTIQUANTUM-WELL STRUCTURES/
Applied physics letters
STRONGLY SUBSPECTRAL CONJUGATED MOLECULAR-SYSTEMS - FROM SMALL MOLECULES TO INFINITELY LARGE PI-ELECTRONIC NETWORKS
The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory
CAN THE LOW-LYING ELECTRONIC STATES OF BENZENOID HYDROCARBONS BE DESCRIBED BY THE SEMIEMPIRICAL VALENCE-BOND APPROACH
The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory
TUNNELING SPLITTINGS IN PREDISSOCIATED HF DIMER
The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory
EFFECTS OF ADDITIONAL LINKERS IN BIPHENYL-4,4'-DINITRENE ON THE LOW-LYING SINGLET-TRIPLET ENERGY-GAP AND ZERO-FIELD SPLITTING
The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory
APPROACH TO ELECTRON-IMPACT IONIZATION THAT AVOIDS THE 3-BODY COULOMBASYMPTOTIC FORM
Physical review. A
MAKING COMPLEX SCALING WORK FOR LONG-RANGE POTENTIALS
Physical review. A
UNIMOLECULAR DISSOCIATION OF HCO .3. COMPARISON OF CALCULATED AND MEASURED CO ROTATIONAL-STATE DISTRIBUTIONS
Journal of the Chemical Society. Faraday transactions
ENHANCED CONJUGATION IN 1,4-DIGERMABUTADIENE
Organometallics