
[Related PubMed/MEDLINE] Total Number of Papers: 27



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No. 
Year 
Title 
Cooccurring Abbreviation 
1 
2020 
TimeDependent Density Functional Theory Investigation of Excited State Intramolecular Proton Transfer in Tris(2hydroxyphenyl)triazasumanene. 
ESIPT 
2 
2018 
Kryptonmethanol spectroscopic study: Assessment of the complexation dynamics and the role of the van der Waals interaction. 
QTAIM 
3 
2018 
The RbSr 2Sigma+ ground state investigated via spectroscopy of hot and ultracold molecules. 
 
4 
2017 
Quantum Monte Carlo with density matrix: potential energy curve derived properties. 
 
5 
2015 
An auxiliaryfield quantum Monte Carlo study of the chromium dimer. 
AFQMC 
6 
2015 
Discontinuitiesfree completeactivespace statespecific multireference coupled cluster theory for describing bond stretching and dissociation. 
CASCC 
7 
2015 
Fouriertransform spectroscopy and potential construction of the (2)(1)Pi state in KCs. 
 
8 
2014 
Accurate potential energy curve of the LiH+ molecule calculated with explicitly correlated Gaussian functions. 
 
9 
2014 
Exciplexes with ionic dopants: stability, structure, and experimental relevance of M(+)((2)P)(4)He(n) (M = Sr, Ba). 
DMC, PES 
10 
2014 
Rovibrational energies and spectroscopic constants for H2ONg complexes. 
 
11 
2013 
Fouriertransform spectroscopy and description of lowlying energy levels in the B(1)(1)Pi state of RbCs. 
SD 
12 
2013 
NonBornOppenheimer potential energy curve: Hydrogen molecular ion with highly accurate free complement method. 
BO, nonBO 
13 
2012 
Accurate potential energy curves for HeH+ isotopologues. 
AC, BC, BO, ECG 
14 
2012 
B1(1)Pi state of KCs: highresolution spectroscopy and description of lowlying energy levels. 
 
15 
2012 
Exploring hydrogen bond in the excited state leading toward intramolecular proton transfer: detailed analysis of the structure and charge density topology along the reaction path using QTAIM. 
BEBO, ESIPT, IRC, MS, OHBA, QTAIM, SA 
16 
2012 
Short and longrange binding of Be with Mg in the X1Sigma+ ground state and in the A1Pi excited state. 
CI 
17 
2012 
Very accurate potential energy curve of the He2+ ion. 
 
18 
2011 
A CAS study on Sloss and Oloss dissociation mechanisms of the SO(2) (+) ion in the C, D, and E states. 
CASSCF, MECP 
19 
2011 
Fourier transform spectroscopy and direct potential fit of a shelflike state: application to E(4)1Sigma(+) KCs. 
CPE, DPF, LIF 
20 
2011 
Very accurate potential energy curve of the LiH molecule. 
 
21 
2009 
A theoretical study on the electronic states and Oloss photodissociation of the NO2(+) ion. 
MECP 
22 
2008 
Molecular applications of statespecific multireference perturbation theory to HF, H2O, H2S, C2, and N2 molecules. 
CAS, MP, MP, SR, SSMRPT 
23 
2008 
Theoretical study of pyrazolatebridged dinuclear platinum(II) complexes: interesting potential energy curve of the lowest energy triplet excited state and phosphorescence spectra. 
2MeTHF, RT 
24 
2007 
Theoretical study of oxidative additions of H2 and MeCN to a nickel(0) complex: significantly large correlation effects and characteristic features of the reaction. 
Bs, ECPs 
25 
2006 
X, A, B, C, and D states of the C6H5F+ ion studied using multiconfiguration wave functions. 
CASSCF 
26 
2005 
First principle computational study on the full conformational space of Lproline diamides. 
PECS, PEHS, PESs 
27 
2005 
Structural requirements for the interaction of 91 hydroxylated polychlorinated biphenyls with estrogen and thyroid hormone receptors. 
 
