The following pages link to GAUSSIAN (Q18252):
Displaying 50 items.
- Erratum to: ``Hyperfine spin qubits in irradiated malonic acid: heat-bath algorithmic cooling'' (Q265436) (← links)
- Concurrent phenomena at the reaction path of the \(S_{\mathrm N}2\) reaction \(\mathrm{CH}_3\mathrm{Cl}+F^-\). Information planes and statistical complexity analysis (Q280609) (← links)
- Theoretical investigation of the substitution effects on carrier transport properties of tetrathia[22]annulene-[2,1,2,1] derivatives (Q283774) (← links)
- Extremes of independent stochastic processes: a point process approach (Q291403) (← links)
- Generalization of the Kimeldorf-Wahba correspondence for constrained interpolation (Q302441) (← links)
- NuSol -- numerical solver for the 3D stationary nuclear Schrödinger equation (Q312061) (← links)
- Catalytic properties of a copper transducer for determining flow parameters in a high-frequency induction plasmatron (Q334727) (← links)
- Approaching the \(s\)-wave model ground state energy of He-like atomic ions: results from a model Hamiltonian (Q338188) (← links)
- On the quantum mechanics of a particle constrained to generalized cylinders with application to Möbius strips (Q338197) (← links)
- Development of molecular fragment interaction method for designing organic ferromagnets (Q338808) (← links)
- Higher-order adaptive finite-element methods for Kohn-Sham density functional theory (Q348135) (← links)
- Theoretical model for the polarization molecular and Hückel treatment of phosphocyclopentadiene in an external electric field: Hirschfeld study (Q364651) (← links)
- Secondary structure elements in polylactic acid models (Q427412) (← links)
- Constructing quantum mechanical models starting from diabatic schemes: quantum states for simulations bond break/formation. I: Feshbach-like quantum states and electronuclear wave functions (Q427437) (← links)
- Information-theoretical complexity for the hydrogenic identity \(S_N2\) exchange reaction (Q445421) (← links)
- MSTor: a program for calculating partition functions, free energies, enthalpies, entropies, and heat capacities of complex molecules including torsional anharmonicity (Q483775) (← links)
- Theoretical calculation on relationship between molecular structure and band gap of benzo[1,2-b:4,5-b\('\)]dithiophene based homopolymer (Q500694) (← links)
- Symmetries of deoxyribonucleic acid (DNA) and related molecules (Q511883) (← links)
- Local Gaussian correlation: a new measure of dependence (Q528115) (← links)
- Fuzzy symmetries of two classes of linear polyacene molecules (Q543525) (← links)
- Spiked Dirichlet process priors for Gaussian process models (Q544464) (← links)
- Analysis of the heterogeneous recombination of oxygen atoms on aluminum oxide by methods of quantum mechanics and classical dynamics (Q545783) (← links)
- Heuristic computation of the rovibrational \(\mathbf {G}\) matrix in optimized molecule-fixed axes. \texttt{Gmat 2.1} (Q547063) (← links)
- Statistical spectroscopy as a tool for the study of molecular similarity (Q551938) (← links)
- Gmat. A software tool for the computation of the rovibrational \(G\) matrix (Q603271) (← links)
- Fortran 90 implementation of the Hartree-Fock approach within the CNDO/2 and INDO models (Q603319) (← links)
- A metaheuristic approach to the optimal definition of molecule-fixed axes in rovibrational Hamiltonians (Q615175) (← links)
- Reconciling alternate methods for the determination of charge distributions: a probabilistic approach to high-dimensional least-squares approximations (Q626481) (← links)
- Geometry and ground-state electronic structure of neutral ruthenium metal complexes of potential relevance to metal-based drugs for cancer control (Q637150) (← links)
- Modeling vacancies and hydrogen impurities in graphene: a molecular point of view (Q644004) (← links)
- Finding minimum energy reaction paths on ab initio potential energy surfaces using the fast marching method (Q645137) (← links)
- \(Ab\) \(initio\) spectroscopic studies of non-rigid molecules: An application to acetic acid (Q645149) (← links)
- Quantum similarity and discrete representation of molecular sets (Q645162) (← links)
- Fuzzy Gaussian mixture models (Q650964) (← links)
- Newton trajectories for finding stationary points on molecular potential energy surfaces (Q652713) (← links)
- Numerical accuracy on \(Fm(z)\) for molecular integral calculations (Q709337) (← links)
- Binary SCF: GAMESS improvements for energy evaluation based on SCF methods (Q709917) (← links)
- The \texttt{MATHSCOUT} Mathematica package to postprocess the output of other scientific programs (Q710111) (← links)
- SCELib3.0: the new revision of SCELib, the parallel computational library of molecular properties in the single center approach (Q711757) (← links)
- The VOLSCAT package for electron and positron scattering of molecular targets: A new high throughput approach to cross-section and resonances computation (Q711758) (← links)
- Split kinetic energy method for quantum systems with competing potentials (Q713245) (← links)
- Symmetries and fuzzy symmetries of graphene molecules (Q714672) (← links)
- Electronic structure and driving forces in \(\alpha \)-cyclodextrin:butylparaben inclusion complexes (Q716796) (← links)
- Gaussian basis implementation of the charge patching method (Q725444) (← links)
- RESCU: a real space electronic structure method (Q729415) (← links)
- \textit{Ab initio} quantum mechanics of a cluster of \(SiH_{4}\) and two \(H_{2}\) molecules, together with its dimer and trimer (Q763879) (← links)
- Structures, chemical bonding, magnetisms of small Al-doped zirconium clusters (Q763933) (← links)
- On the martingale approximation of the estimation error of ARMA parameters (Q807566) (← links)
- Excited state structures projected onto two dimensions: correlations with luminescent behavior (Q830904) (← links)
- The reaction force. A scalar property to characterize reaction mechanisms (Q839369) (← links)
