| Publication | Date of Publication | Type |
|---|
A postulate involving quantum mechanical momentum in position space, density function expression of the kinetic energy and Heisenberg's uncertainty relation
Journal of Mathematical Chemistry | 2014-10-09 | Paper |
Completely soft molecular electrostatic potentials (CoSMEP) and total density functions
Journal of Mathematical Chemistry | 2013-09-09 | Paper |
EMP as a similarity measure: a geometric point of view
Journal of Mathematical Chemistry | 2013-02-11 | Paper |
Function extended spaces
Journal of Mathematical Chemistry | 2013-02-07 | Paper |
Centroid origin shift of quantum object sets and molecular point clouds description and element comparisons
Journal of Mathematical Chemistry | 2012-10-11 | Paper |
On the nature of atomic shell approximation (ASA) electrostatic molecular potentials (EMP)
Journal of Mathematical Chemistry | 2012-06-13 | Paper |
Shells, point cloud huts, generalized scalar products, cosines and similarity tensor representations in vector semispaces
Journal of Mathematical Chemistry | 2012-05-31 | Paper |
\(n\)-dimensional Euclidean space Gaussian enfoldment
Journal of Mathematical Chemistry | 2012-01-13 | Paper |
Geometry of \(n\)-dimensional Euclidean space Gaussian enfoldments
Journal of Mathematical Chemistry | 2012-01-13 | Paper |
The general Gaussian product theorem
Journal of Mathematical Chemistry | 2011-11-08 | Paper |
Mathematical aspects of the LCAO MO first order density function. IV: A discussion on the connection of Taylor series expansion of electronic density (TSED) function with the holographic electron density theorem (HEDT) and the Hohenberg-Kohn theorem (HKT)
Journal of Mathematical Chemistry | 2011-05-11 | Paper |
A Gaussian holographic theorem and the projection of electronic density functions into the surface of a sphere
Journal of Mathematical Chemistry | 2010-11-22 | Paper |
| Some plots are not that equivalent | 2007-03-02 | Paper |
Generation of molecular fields, quantum similarity measures and related questions
Journal of Mathematical Chemistry | 2006-09-22 | Paper |
An overlooked property of plot methods
Journal of Mathematical Chemistry | 2006-09-22 | Paper |
Equivalence of the Pecka-Ponec correlation probability and the statistical \(F\) significance for MLR models
Journal of Mathematical Chemistry | 2005-01-12 | Paper |
| scientific article; zbMATH DE number 1890149 (Why is no real title available?) | 2003-04-01 | Paper |
Fast computation of cross-validated properties in full linear leave-many-out procedures
Journal of Mathematical Chemistry | 2001-12-18 | Paper |
Quantum chemistry, Sobolev spaces and SCF
Journal of Mathematical Chemistry | 2001-06-19 | Paper |
Extended Sobolev and Hilbert spaces and approximate stationary solutions for electronic systems within the nonlinear Schrödinger equation
Journal of Mathematical Chemistry | 2001-06-19 | Paper |
On the optimal selection of principal components in QSPR studies
Journal of Mathematical Chemistry | 2001-06-19 | Paper |
Generalized one-electron spin functions and self-similarity measures
Journal of Mathematical Chemistry | 2001-06-19 | Paper |
A naive look on the Hohenberg-Kohn theorem
Journal of Mathematical Chemistry | 2000-09-13 | Paper |
Another way to implement the Powell formula for updating Hessian matrices related to transition structures
Journal of Mathematical Chemistry | 2000-08-16 | Paper |
Extending molecular similarity to energy surfaces: Boltzmann similarity measures and indices
Journal of Mathematical Chemistry | 1998-12-14 | Paper |
Rayleigh-Schrödinger perturbation theory: Practical implementation of matrix and vector formalisms and description of an heuristic sufficiency convergence criterion
Journal of Mathematical Chemistry | 1998-11-01 | Paper |
A procedure to obtain an accurate approximate to a full CI wavefunction
Journal of Mathematical Chemistry | 1998-11-01 | Paper |
Definition and quantum chemical applications of nested summation symbols and logical functions: Pedagogical artificial intelligence devices for formulae writing, sequential programming and automatic parallel implementation
Journal of Mathematical Chemistry | 1998-10-19 | Paper |
An iterative method to solve the algebraic eigenvalue problem
Journal of Mathematical Chemistry | 1998-09-02 | Paper |
On quantum molecular similarity measures (QMSM) and indices (QMSI)
Journal of Mathematical Chemistry | 1997-11-10 | Paper |
Quantum molecular similarity measures (QMSM) as a natural way leading towards a theoretical foundation of quantitative structure-properties relationships (QSPR)
Journal of Mathematical Chemistry | 1997-11-06 | Paper |
Definition, mathematical examples and quantum chemical applications of nested summation symbols and logical Kronecker deltas
Computers & Chemistry | 1995-03-19 | Paper |
