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  • 1
    Electronic Resource
    Electronic Resource
    s.l. : American Chemical Society
    Inorganic chemistry 14 (1975), S. 2890-2895 
    ISSN: 1520-510X
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    Springer
    Il nuovo cimento della Società Italiana di Fisica 15 (1993), S. 127-130 
    ISSN: 0392-6737
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    Springer
    Il nuovo cimento della Società Italiana di Fisica 15 (1993), S. 1193-1214 
    ISSN: 0392-6737
    Keywords: Rotational and vibrational energy transfer
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Summary The interaction between H+ ions and the ground electronic state of NH3 molecules is computed from first principles, using an expansion over analytic functions (GTO orbitals) to construct a potential energy surface (PES) at the SCF-HF level of approximation. By employing a rigid-rotor (RR) description of the symmetric-top target molecule, the interaction is expanded in symmetry-adapted coefficients and the latter are fitted with analytic polynomials. The full quantum treatment of rotationally inelastic collisions at the energies of existing molecular beam experiments produces reasonable accord with these data and suggests physical reasons for the observed low efficiency of the inelastic processes.
    Type of Medium: Electronic Resource
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  • 4
    Electronic Resource
    Electronic Resource
    Springer
    Il nuovo cimento della Società Italiana di Fisica 16 (1994), S. 101-106 
    ISSN: 0392-6737
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Type of Medium: Electronic Resource
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  • 5
    Electronic Resource
    Electronic Resource
    Springer
    Il nuovo cimento della Società Italiana di Fisica 16 (1994), S. 631-636 
    ISSN: 0392-6737
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Type of Medium: Electronic Resource
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  • 6
    Electronic Resource
    Electronic Resource
    Springer
    Il nuovo cimento della Società Italiana di Fisica 13 (1991), S. 949-950 
    ISSN: 0392-6737
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Type of Medium: Electronic Resource
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  • 7
    Electronic Resource
    Electronic Resource
    Springer
    Il nuovo cimento della Società Italiana di Fisica 11 (1989), S. 1287-1305 
    ISSN: 0392-6737
    Keywords: Intramolecular energy transfer ; intramolecular dynamics ; dynamics of van der Waals molecules ; Elastic scattering of atoms and molecules
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Description / Table of Contents: Riassunto I potenziali di integrazione per gli stati fondamentali di Ne(1S) ed Ar(1S) con H+ sone stati ottenuti in forma analitica semplice e con un’ottimizzazione dei parametri presenti che ha tenuto in considerazione un ampio spettro di dati sperimentali. Si mostra chiaramente nel presente lavoro che i dati spettroscopici esistenti per gli stati legati delle due specie biatomiche e per le transizioni fra loro, le sezioni d’urto differenziali misurate e i coefficienti di mobilità sono tutti ben riprodotti dai presenti potenziali, i quali migliorano marcatamente le forme di interazione già esistenti in letteratura per questi sistemi.
    Abstract: Резюме Определяются потенциалы взаимодействия для систем Ne(1S) и Ar(1S) с H+ в довольно простой аналитической форме и с оптимизацией параметров, которая учитывает щирокую область экспериментальных данных. Этот подход позволяет обобщить и проверить результаты предыдущей работы, где рассматривались только эксперименты по рассеянию. Сравнение с предыдущей работой показывает, что имеющиеся спектроскопические данные по локализации двухатомных связанных состояний и по перехдам между ними, измеренные дифференциальные поперечные сечения при различных энергиях соударения и коэффициенты подвижности при различных значенияхE/N хорошо воспроизводятся с помощью предложенных нами потенциалов. Таким образом для двух рассматриаемых систем получаются точные многоцелевые функции потенциалов.
    Notes: Summary The groud-state interaction potentials for the Ne(1S) and Ar(1S) systems with H+ as a partner have been obtained in a rather simple analytic form and with a parameter optimization that took into consideration a broad range of experimental data, thus extending and verifying earlier work which considered only scattering experiments. It is clearly shown by the present work that the available spectroscopic data on the location of the diatomic bound states and on the transitions between them, the measured differential cross-sections at various collision energies and the mobility coefficients at variousE/N values are all well reproduced by our final potential forms, as apposed to the poorer performances of earlier analytic potential forms, as apposed to the poorer performances of earlier analytic potentials that had been suggested for the same systems. As a consequence of the present analysis very accurate, multiproperty potential functions are thus obtained and provided for the two systems under study.
    Type of Medium: Electronic Resource
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  • 8
    Electronic Resource
    Electronic Resource
    Springer
    Il nuovo cimento della Società Italiana di Fisica 16 (1994), S. 315-317 
    ISSN: 0392-6737
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Type of Medium: Electronic Resource
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  • 9
    Electronic Resource
    Electronic Resource
    Springer
    Il nuovo cimento della Società Italiana di Fisica 4 (1984), S. 529-547 
    ISSN: 0392-6737
    Keywords: Inelastic seattering of atoms and molecules
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Description / Table of Contents: Riassunto Una superficie di potenziale recentemente ottenuta da noi per il sistema He−N2 è utilizzata per studiare il processo quantico di transferimento d'energia interna, per via collisionale, fra i numerosi livelli rotazionali della molecola bersaglio ed alcuni dei livelli vibrazionali che risultano energeticamente accessibili alle velocità traslazionali qui esaminate. La natura anisotropa dell'accoppiamento (V, T) è così analizzata dal punto di vista del suo effettodiretto su osservabili dinamiche come sezioni d'urto inelastiche, parziali integrali e differenziali. Le strutture interferenziali che si originano in tale sistema sono scarsamente influenzate dalla presenza o meno di accoppiamento vibrazionale e sono qui discusse in relazione alla loro diversità con altri sistemi polari (LH, KF) precedentemente da noi studiati con tecniche teoriche simili.
    Abstract: Резюме Недавно полученное анизотропное взаимодействие для He−N2 систем испоиьзуется в зтой работе для поробного анализа квантового переноса внутренней знергии меЗду многочисленными ротационными состояниями молекул мишени и несколькими колебатэльными состояниями. Анализируется природа анизотропии вращательіх и колебательньіх связей с точки зрения влияния зтой анизотропии на динамичэскиэ наблюдаемье величины, такиэ как интэграиьіе и дифференциалъные неупругие поперечные сеч∈ния. Интерферендионные структуры, которы∈ возникют в таких системах, слабо зависят от вибрадионной связх. Проводится сравнениэ полученных резульіх резулвтатоб с резулвтатми для других полярных молекул, ранее рассмотренных в рамках того Зе теоретическочо подхода.
    Notes: Summary A newly obtained anisotropic interaction for the He−N2 system is here employed to analyse in detail the inelastic flux distribution between the many rotational states of the target molecule and the few of its vibrational states that are accessible at near-thermal ranges of collisional energy. Both integral and differential inelastic cross-sections are obtained from a quantal formulation of the energy transfer process, within which the orientational dependence of rotational and vibrational couplings is examined for its bearing on the interference structures that are exhibited by the dynamical observables as functions of final rotational states and of centre-of-mass scattering angles. Similarities and differences with previously studied polar molecules also interacting with helium are underlined and explained.
    Type of Medium: Electronic Resource
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  • 10
    Electronic Resource
    Electronic Resource
    Springer
    Il nuovo cimento della Società Italiana di Fisica 7 (1986), S. 339-361 
    ISSN: 0392-6737
    Keywords: General theories and models (including statistical theories, transition state stochastic and trajectory models, etc.)
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Description / Table of Contents: Riassunto Le collisioni di elettroni lenti con molecole gassose forniscono un potente mezzo sperimentale per correlare specifiche proprietà molecolari con il comportamento dinamico del sistema e con i processi competitivi di deposizione selettiva di energia nei vari gradi di libertà molecolare. In questo studio si descrive un metodo completamente generale edab initio per trattare le varie componenti dell'interazione fra gli elettroni legati e quelli nel continuo del fascio incidente. Si mostra, per molecole polari come esempio iniziale, che tale metodo permette di correlare in modo chiaro le nostre conoscenze di struttura molecolare con il dettagliato comportamento dinamico del processo collisionale in questione.
    Notes: Summary The collisions of slow electrons (k 2〈2 Ryd) with gaseous molecules provide a very powerful experimental tool for the study of molecular properties and for correlating their structural characteristics with the specific ways in which energy is exchanged and stored during each encounter between the impinging light charge and the various molecular degrees of freedom. In the present study a generalab initio approach is described for treating the various parts of the interaction occurring between the bound molecular electrons and those in the continuum of the probing beam. It is shown that the results found with this method are closely correlated with our knowledge of the molecular structure which thus bears great significance when interpreting collisional events involving simple molecular targets.
    Type of Medium: Electronic Resource
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