Drupal-Biblio17<style face="normal" font="default" size="100%">Introduction to the density matrix renormalization group ansatz in quantum chemistry</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Orbital optimization in the density matrix renormalization group, with applications to polyenes and ss-carotene</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Accelerating convergence in iterative solution for large-scale complete active space self-consistent-field calculations</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Study of cumulant approximations to n-electron valence multireference perturbation theory</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Non-covalent interactions in extended systems described by the effective fragment potential method: theory and application to nucleobase oligomers</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Correction to what drives the redox properties of model green fluorescence protein chromophores?</style>
Drupal-Biblio17<style face="normal" font="default" size="100%">Effect of solvation on the vertical ionization energy of thymine: from microhydration to bulk</style>Drupal-Biblio17<style face="normal" font="default" size="100%">What drives the redox properties of model green fluorescence protein chromophores?</style>Drupal-Biblio17<style face="normal" font="default" size="100%">First-principle protocol for calculating ionization energies and redox potentials of solvatedmolecules and ions: theory and application to aqueous phenol and phenolate</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Toward understanding the redox properties of model chromophores from the greenfluorescent protein family: an interplay between conjugation, resonance stabilization, and solvent effects</style>Drupal-Biblio17<style face="normal" font="default" size="100%">VUV Photoionization and Ab initio determination of the ionization energy of a gas-phasesugar (deoxyribose)</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Effective fragment potential method in Q-CHEM: a guide for users and developers</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Perturbative approximations to single and double spin flip equation of motion coupled cluster singles doubles methods</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Electrostatics determine vibrational frequency shifts in hydrogen bonded complexes</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Ionization-induced tautomerization in cytosine and effect of solvation</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Perturbative approximation to hybrid equation of motion coupled cluster/effective fragment potential method</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Advances in molecular quantum chemistry contained in the Q-Chem 4 program package</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Feasibility of ionization-mediated pathway for ultraviolet-induced melanin damage</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Singlet-triplet gaps in polyacenes: a delicate balance between dynamic and static correlations investigated by spin-flip methods</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Spectroscopic and ab initio investigation of 2,6-difluorophenylacetylene-amine complexes: coexistence of C-H center dot center dot center dot N and lone-pair center dot center dot center dot pi complexes and intermolecular coulombic decay</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Effect of sequence on the ionization of guanine in DNA</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Effect of solvation on electron detachment and excitation energies of a green fluorescent protein chromophore variant</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Effects of the benzoxazole group on green fluorescent protein chromophore crystal structure and solid state photophysics</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Extension of the effective fragment potential method to macromolecules</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Theoretical study of the ground and excited state tautomersim in curcumin using DFT based methods</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Electrostatic origin of the red solvatochromic shift of DFHBDI in RNA spinach</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Hybrid equation-of-motion coupled-cluster/effective fragment potential method: a route toward understanding photoprocesses in the condensed phase</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Interaction energy driven biased sampling technique: a faster route to ionization spectra in condensed phase</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Multiscale modelling: hybrid quantum mechanics/molecular mechanics as an example and some recent developments</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Nature of selenium hydrogen bonding: gas phase spectroscopy and quantum chemistry calculations</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Unprecedented solvent induced inter-conversion between monomeric and dimeric silylene-zinc iodide adducts</style>
Drupal-Biblio17<style face="normal" font="default" size="100%">Machine learning prediction of interaction energies in rigid water clusters</style>