| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A brief review of the methods used to evaluate vapour pressures and sublimation enthalpies
|
Almeida, Ana R. R. P.
|
|
2013
|
24 |
6 |
p. 1993-1997
|
artikel
|
| 2 |
An appreciation of the life and work of Dr. Jerome Karle
|
Massa, Lou
|
|
2013
|
24 |
6 |
p. 2215-2217
|
artikel
|
| 3 |
A new approach for the estimation of sublimation enthalpies and vapor pressures of crystalline benzene derivatives
|
Monte, Manuel J. S.
|
|
2013
|
24 |
6 |
p. 2001-2016
|
artikel
|
| 4 |
Cation- and/or anion-directed reaction routes. Could the desolvation pattern of isostructural coordination compounds be related to their molecular structure?
|
Holló, Berta
|
|
2013
|
24 |
6 |
p. 2193-2201
|
artikel
|
| 5 |
Chemistry of HCNH+: mechanisms, structures, and relevance to Titan’s atmosphere
|
Demarais, Nicholas J.
|
|
2013
|
24 |
6 |
p. 1957-1963
|
artikel
|
| 6 |
Computational analysis of relative stabilities of polyazine N-oxides
|
Politzer, Peter
|
|
2013
|
24 |
6 |
p. 1965-1974
|
artikel
|
| 7 |
Computational characterization of 2, 4, 6, 8, 10, 12, 13-heptaazatetracyclo [5.5.1.03,11.05,9]tridecanes as potential energetic compounds
|
Zhang, Jian-ying
|
|
2013
|
24 |
6 |
p. 2163-2172
|
artikel
|
| 8 |
Computational reexamination of the eclipsed conformation in cis-2-tert-butyl-5-(tert-butylsulfonyl)-1,3-dioxane
|
Juaristi, Eusebio
|
|
2013
|
24 |
6 |
p. 1855-1862
|
artikel
|
| 9 |
Conformational preferences of RCH2CH2CN (R = CH3, F, Cl) cyanides and their corresponding isocyanides
|
Lamsabhi, Al Mokhtar
|
|
2013
|
24 |
6 |
p. 1789-1798
|
artikel
|
| 10 |
Curtin–Hammett principle: application to benzene oxide–oxepin tautomers
|
Morgan, Jessica
|
|
2013
|
24 |
6 |
p. 1945-1956
|
artikel
|
| 11 |
Density functional theory study of Te(CN)2, Te(CN)(NC), and Te(NC)2 and their isomerizations
|
Bundhun, Ashwini
|
|
2013
|
24 |
6 |
p. 2047-2057
|
artikel
|
| 12 |
Dibenzofuran and methyldibenzofuran derivatives: assessment of thermochemical data
|
Freitas, Vera L. S.
|
|
2013
|
24 |
6 |
p. 1923-1933
|
artikel
|
| 13 |
Energetic study of bromobenzonitrile isomers: insights on the intermolecular interactions, aromaticity and electronegativity
|
Rocha, Inês M.
|
|
2013
|
24 |
6 |
p. 1935-1944
|
artikel
|
| 14 |
Enthalpy of solvation correlations for organic solutes and gases dissolved in dichloromethane and 1,4-dioxane
|
Wilson, Anastasia
|
|
2013
|
24 |
6 |
p. 1841-1853
|
artikel
|
| 15 |
Eric Scerri (ed.): 30-SECOND ELEMENTS: The 50 most significant elements, each explained in half a minute
|
Hargittai, Istvan
|
|
2013
|
24 |
6 |
p. 2213-2214
|
artikel
|
| 16 |
Erratum to: A brief review of the methods used to evaluate vapour pressures and sublimation enthalpies
|
Almeida, Ana R. R. P.
|
|
2013
|
24 |
6 |
p. 1999
|
artikel
|
| 17 |
Erratum to: Computational studies on the structures and energies of the tautomers of 1-amino-3-nitrotriazol-5-one-2-oxide
|
Ravi, P.
|
|
2013
|
24 |
6 |
p. 2211
|
artikel
|
| 18 |
Experimental and computational study of the thermal decomposition of 3-buten-1-ol in m-xylene solution
|
López, Víctor
|
|
2013
|
24 |
6 |
p. 1811-1816
|
artikel
|
| 19 |
Experimental and DFT study on complexation of Eu3+ with a macrocyclic lactam receptor
|
Makrlík, E.
|
|
2013
|
24 |
6 |
p. 2149-2153
|
artikel
|
| 20 |
Interplay of thermochemistry and structural chemistry, the journal (volume 24, 2013, issues 1–2) and the discipline
|
Ponikvar-Svet, Maja
|
|
2013
|
24 |
6 |
p. 2101-2114
|
artikel
|
| 21 |
Introduction: María Victoria Roux, colleague, calorimetrist, and friend
|
Liebman, Joel F.
|
|
2013
|
24 |
6 |
p. 1785-1787
|
artikel
|
| 22 |
JEROME KARLE (1918–2013)—Nobel laureate; Charter member of the Editorial Board of Structural Chemistry
|
Hargittai, Istvan
|
|
2013
|
24 |
6 |
p. 2219-2222
|
artikel
|
| 23 |
Linear model for estimating the entropy of formation of aqueous anions
|
Ponikvar-Svet, Maja
|
|
2013
|
24 |
6 |
p. 2069-2082
|
artikel
|
| 24 |
Mechanistic investigation and DFT calculation of the new reaction between S-methylisothiosemicarbazide and methyl acetoacetate
|
Marković, Violeta
|
|
2013
|
24 |
6 |
p. 2127-2136
|
artikel
|
| 25 |
Mononuclear and polynuclear 5-coordinate zinc(II) model complexes: a quantum chemical calibration study of their structure and energy
|
Mayhan, Collin M.
|
|
2013
|
24 |
6 |
p. 2089-2099
|
artikel
|
| 26 |
Pushing and pulling electrons: the effect on the heat of formation of trifluoromethyl compounds
|
Bartmess, John E.
|
|
2013
|
24 |
6 |
p. 2035-2045
|
artikel
|
| 27 |
QSPR models for prediction of gas-to-heptane and gas-to-hexadecane solvation enthalpies of organic compounds from theoretical molecular descriptors
|
Golmohammadi, Hassan
|
|
2013
|
24 |
6 |
p. 1799-1810
|
artikel
|
| 28 |
Quantum chemical investigation on the influence of amino substitution on proton affinity of oxazolidin-2-one
|
Kaur, Damanjit
|
|
2013
|
24 |
6 |
p. 2173-2191
|
artikel
|
| 29 |
Solution phase thermodynamics of strong electrolytes based on ionic concentrations, hydration numbers and volumes of dissolved entities
|
Heyrovska, Raji
|
|
2013
|
24 |
6 |
p. 1895-1901
|
artikel
|
| 30 |
Some thermodynamic properties of benzocaine
|
Gobble, Chase
|
|
2013
|
24 |
6 |
p. 1903-1907
|
artikel
|
| 31 |
Structural descriptors for the correlation of human blood:air partition coefficient of volatile organic molecules by QSPRs
|
Al-Fahemi, Jabir H.
|
|
2013
|
24 |
6 |
p. 2155-2161
|
artikel
|
| 32 |
Substituents effect on thermal electrocyclic reaction of dihydroazulene–vinylheptafulvene photoswitch: a DFT study to improve the photoswitch
|
Shahzad, Nasir
|
|
2013
|
24 |
6 |
p. 2115-2126
|
artikel
|
| 33 |
Synthesis, structure, and thermochemistry of adduct formation between N-heterocyclic carbenes and isocyanates or mesitylnitrile oxide
|
Temprado, Manuel
|
|
2013
|
24 |
6 |
p. 2059-2068
|
artikel
|
| 34 |
The gas phase enthalpies of formation of hydrazine, its methylated derivatives, and the corresponding values for ammonia and its methylated derivatives
|
Notario, Rafael
|
|
2013
|
24 |
6 |
p. 1817-1819
|
artikel
|
| 35 |
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
|
Ośmiałowski, Borys
|
|
2013
|
24 |
6 |
p. 2203-2209
|
artikel
|
| 36 |
The influence of methyl groups on the torsion angle and on the energetics of 1-phenylpyrrole derivatives: a thermodynamic and computational study
|
Santos, Ana Filipa L. O. M.
|
|
2013
|
24 |
6 |
p. 1981-1992
|
artikel
|
| 37 |
Theoretic study of DNA base guanine and adenine and protein residues’ binding mode of the trans geometries of new antitumor non-classical platinum complexes containing pyridine and picoline ligand
|
Li, Tian
|
|
2013
|
24 |
6 |
p. 2137-2148
|
artikel
|
| 38 |
Thermochemical and structural properties of anthraquinones
|
Dávalos, Juan Z.
|
|
2013
|
24 |
6 |
p. 2027-2034
|
artikel
|
| 39 |
Thermochemical and structural study of a dibenzocycloheptane cyanoenamine
|
Perisanu, Stefan
|
|
2013
|
24 |
6 |
p. 1975-1980
|
artikel
|
| 40 |
Thermochemistry of 2-methylbenzoxazole and 2,5-dimethylbenzoxazole: an experimental and computational study
|
Silva, Ana L. R.
|
|
2013
|
24 |
6 |
p. 1863-1872
|
artikel
|
| 41 |
Thermodynamically sick molecules: searching for defective experimental enthalpies of formation values using empirical and quantum chemistry methods
|
Santos, Rui C.
|
|
2013
|
24 |
6 |
p. 2017-2026
|
artikel
|
| 42 |
Thermogravimetric method for a rapid estimation of vapor pressure and vaporization enthalpies of disubstituted benzoic acids: an attempt to correlate vapor pressures and vaporization enthalpies with structure
|
Vecchio, Stefano
|
|
2013
|
24 |
6 |
p. 1821-1827
|
artikel
|
| 43 |
The standard molar enthalpies of combustion and formation of 2-methylbenzothiazole, 2-methylbenzoxazole, and 2-methyl-2-thiazoline
|
Flores, Henoc
|
|
2013
|
24 |
6 |
p. 2083-2088
|
artikel
|
| 44 |
The structure and energetics of pyrrolidinones, tetrahydrofuranones, piperidinones, and tetrahydropyranones: a computational study
|
Miranda, Margarida S.
|
|
2013
|
24 |
6 |
p. 1829-1839
|
artikel
|
| 45 |
Using only the very accurately known experimental enthalpy of hydrogenation of ethylene as a reference standard in the atomization method
|
Rogers, Donald W.
|
|
2013
|
24 |
6 |
p. 1909-1921
|
artikel
|
| 46 |
Variational principles for mechanistic quantitative structure–activity relationship (QSAR) studies: application on uracil derivatives’ anti-HIV action
|
Putz, Mihai V.
|
|
2013
|
24 |
6 |
p. 1873-1893
|
artikel
|
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