A new general algorithmic method in reaction syntheses using linear algebra István Szalkai OriginalPaper Pages: 1 - 34
The coherent state and anharmonic oscillator description of nonlinear oscillation Shukla BasuR.K. Roychoudhury OriginalPaper Pages: 35 - 41
Analysis of the electrolyte diode. Electro-diffusion and chemical reaction within a hydrogel reactor J.H. MerkinP.L. SimonZ. Noszticzius OriginalPaper Pages: 43 - 58
Quantum chemistry, Sobolev spaces and SCF Albert BachLluis AmatRobert Ponec OriginalPaper Pages: 59 - 70
Graphical linking of a MO multicenter bond index to VB structures Carlos Guido BolliniMario GiambiagiAloysio Paiva de Figueiredo OriginalPaper Pages: 71 - 81
Topological population analysis from higher order densities. I. Hartree–Fock level R. BochicchioL. LainR. Ponec OriginalPaper Pages: 83 - 90
Potential energy surface exploration with equilibrial paths. Part I: Theory Wolfgang Kliesch OriginalPaper Pages: 91 - 112
Potential energy surface exploration with equilibrial paths. Part II: Application Wolfgang Kliesch OriginalPaper Pages: 113 - 138
Perturbation method with triangular propagators and anharmonicities of intermediate strength Miloslav Znojil OriginalPaper Pages: 139 - 167
On the use of Laplace's equation for global predictions of internuclear separation and dissociation energy Ray HefferlinJonathan Knoll OriginalPaper Pages: 169 - 192
Potential energy surface for linear triatomic molecules: An algebraic method Yujun ZhengShiliang Ding OriginalPaper Pages: 193 - 200
On the Hellmann–Feynman theorem and the corrections to the energy in the Rayleigh–Schrödinger perturbation theory Rafael AlmeidaHelena Diez y RiegaDaniel A. Morales OriginalPaper Pages: 201 - 206
Generalization of the Hylleraas functional for calculating BSSE-free intermolecular interactions: further considerations Á. Vibók OriginalPaper Pages: 207 - 212
A flexible correlation group table (CGT) method for the relativistic configuration interaction wavefunctions Hang TanMuzhen LiaoK. Balasubramanian OriginalPaper Pages: 213 - 239
On the reaction path concept of Olender and Elber László L. StachóGyula DömötörMiklós I. Bán OriginalPaper Pages: 241 - 246
Application of dynamical Lie algebraic method to atom–diatomic molecule scattering Benhui YangKeli HanShiliang Ding OriginalPaper Pages: 247 - 266
Vibrational isotope effect by the low rank perturbation method Tomislav P. Živković OriginalPaper Pages: 267 - 285
Vibrational isotope effect of linear and planar molecules: Deuterated bromoethenes Tomislav P. Živković OriginalPaper Pages: 287 - 312
Constantin Carathéodory and the axiomatic thermodynamics Lionello PoglianiMario N. Berberan-Santos OriginalPaper Pages: 313 - 324