Online First Articles

ISSN: 1040-0400 (Print) 1572-9001 (Online)

Articles not assigned to an issue (142 articles)

previous Page of 8

  1. No Access

    Original Research

    Strain in Platonic fullerenes

    Beata Szefler, Mircea V. Diudea
    Look Inside Get Access

  2. No Access

    Original Research

    Thermochemical and structural properties of anthraquinones

    Juan Z. Dávalos, Pilar Jiménez, María Victoria Roux…
    Look Inside Get Access

  3. No Access

    Original Research

    SMILES-based quantitative structure–retention relationships for RP HPLC of 1-phenyl-5-benzylsulfanyltetrazoles

    Karel Nesmerak, Andrey A. Toropov, Alla P. Toropova
    Look Inside Get Access

  4. No Access

    Original Research

    Thermodynamically sick molecules: searching for defective experimental enthalpies of formation values using empirical and quantum chemistry methods

    Rui C. Santos, Tânia S. Almeida, Filipe Agapito…
    Look Inside Get Access

  5. No Access

    Original Research

    A new approach for the estimation of sublimation enthalpies and vapor pressures of crystalline benzene derivatives

    Manuel J. S. Monte, Ana R. R. P. Almeida
    Look Inside Get Access

  6. No Access

    Review Article

    A brief review of the methods used to evaluate vapour pressures and sublimation enthalpies

    Ana R. R. P. Almeida, Manuel J. S. Monte
    Look Inside Get Access

  7. No Access

    Original Research

    Change of microstructure of polyimide thin films under the action of supercritical carbon dioxide and its influence on the transport properties

    I. A. Ronova, A. Yu. Alentiev, S. Chisca, I. Sava, M. Bruma…
    Look Inside Get Access

  8. No Access

    Original Research

    DFT studies of functionalized zigzag and armchair boron nitride nanotubes as nanovectors for drug delivery of collagen amino acids

    Davood Farmanzadeh, Samereh Ghazanfary
    Look Inside Get Access

  9. No Access

    Original Research

    The influence of methyl groups on the torsion angle and on the energetics of 1-phenylpyrrole derivatives: a thermodynamic and computational study

    Ana Filipa L. O. M. Santos, Manuel A. V. Ribeiro da Silva
    Look Inside Get Access

  10. No Access

    Review Article

    Interplay of thermochemistry and Structural Chemistry, the journal (volume 23, 2012, issues 4–6) and the discipline

    Maja Ponikvar-Svet, Diana N. Zeiger, Loryn R. Keating…
    Look Inside Get Access

  11. No Access

    Original Research

    Thermochemical and structural study of a dibenzocycloheptane cyanoenamine

    Stefan Perisanu, Iulia Contineanu, Ana Neacsu, Nigam P. Rath…
    Look Inside Get Access

  12. No Access

    Original Research

    Theoretical study on the mechanism and kinetics for the ozonolysis of vinyl propionate

    Jing Li, Dandan Han, Haijie Cao, Mingyue Li, Maoxia He
    Look Inside Get Access

  13. No Access

    Original Research

    Mechanism for OH-initiated atmospheric oxidation of the organophosphorus insecticide phorate

    Juan Dang, Lei Ding, Xiaoyan Sun, Qingzhu Zhang, Wenxing Wang
    Look Inside Get Access

  14. No Access

    Original Research

    Computational study on the mechanism and thermodynamic of atmospheric oxidation of HCN with ozone

    Naser Abdollahpour, Morteza Vahedpour
    Look Inside Get Access

  15. No Access

    Original Research

    Chemical bond between Cu(II) and Rn: ab initio study of CuRn n 2+ (n = 1–6) by coupled cluster method

    Li Xinying, Ma Xingping
    Look Inside Get Access

  16. Original Research

    The influence of CH bond polarization on the self-association of 2-acylaminopyrimidines by NH/CH···O/N interactions: XRD, NMR, DFT, and AIM study

    Borys Ośmiałowski, Erkki Kolehmainen, Arto Valkonen…
    Download PDF (399KB) View Article

  17. No Access

    Original Research

    OH···O and OH···S intramolecular interactions in simple resonance-assisted hydrogen bond systems: a comparative study of various models

    A. Nowroozi, H. Hajiabadi, F. Akbari
    Look Inside Get Access

  18. No Access

    Original Research

    DFT studies on 7-nitrotetrazolo [1,5]furazano[4,5-b]pyridine 1-oxide: crystal structure, detonation properties, sensitivity and effect of hydrostatic compression

    Hui Liu, Fang Wang, Xuedong Gong
    Look Inside Get Access

  19. No Access

    Original Research

    Computational analysis of relative stabilities of polyazine N-oxides

    Peter Politzer, Pat Lane, Jane S. Murray
    Look Inside Get Access

  20. No Access

    Original Research

    Chemistry of HCNH+: mechanisms, structures, and relevance to Titan’s atmosphere

    Nicholas J. Demarais, Zhibo Yang, Theodore P. Snow…
    Look Inside Get Access
previous Page of 8