Published in Tumori on March 28, 2014
Energies, structures, and electronic properties of molecules in solution with the C-PCM solvation model. J Comput Chem (2003) 7.72
A state-specific polarizable continuum model time dependent density functional theory method for excited state calculations in solution. J Chem Phys (2006) 1.57
Treatment of periocular basal cell carcinoma using an advanced stereotactic device. Anticancer Res (2014) 1.47
Toward effective and reliable fluorescence energies in solution by a new state specific polarizable continuum model time dependent density functional theory approach. J Chem Phys (2007) 1.44
8Gy single-dose radiotherapy is effective in metastatic spinal cord compression: results of a phase III randomized multicentre Italian trial. Radiother Oncol (2009) 1.27
A second-order perturbation theory route to vibrational averages and transition properties of molecules: general formulation and application to infrared and vibrational circular dichroism spectroscopies. J Chem Phys (2012) 1.25
Specific alterations of microRNA transcriptome and global network structure in colorectal carcinoma after cetuximab treatment. Mol Cancer Ther (2010) 1.20
Specific alterations of the microRNA transcriptome and global network structure in colorectal cancer after treatment with MAPK/ERK inhibitors. J Mol Med (Berl) (2012) 1.20
Spectral analysis of laser-induced ultraweak delayed luminescence in cultured normal and tumor human cells: temperature dependence. J Photochem Photobiol B (2005) 1.16
Recurrent intracranial hemangiopericytoma with extracranial and unusual multiple metastases: case report and review of the literature. Tumori (2004) 1.11
Geometries and properties of excited states in the gas phase and in solution: theory and application of a time-dependent density functional theory polarizable continuum model. J Chem Phys (2006) 1.04
Role of stereotactic radiosurgery and fractionated stereotactic radiotherapy for the treatment of recurrent glioblastoma multiforme. Neurosurg Focus (2009) 1.02
Prevention of radiation-induced diarrhea with the use of VSL#3, a new high-potency probiotic preparation. Am J Gastroenterol (2002) 1.02
Interplay of electronic, environmental, and vibrational effects in determining the hyperfine coupling constants of organic free radicals. Chem Rev (2004) 1.02
Prospective multicenter study of combined treatment with chemotherapy and radiotherapy in breast cancer women with the rare clinical scenario of ipsilateral supraclavicular node recurrence without distant metastases. Int J Radiat Oncol Biol Phys (2006) 1.00
Anharmonic theoretical simulations of infrared spectra of halogenated organic compounds. J Chem Phys (2013) 0.99
Singlet excited-state behavior of uracil and thymine in aqueous solution: a combined experimental and computational study of 11 uracil derivatives. J Am Chem Soc (2006) 0.98
Swallowing dysfunction in head and neck cancer patients treated by radiotherapy: review and recommendations of the supportive task group of the Italian Association of Radiation Oncology. Cancer Treat Rev (2012) 0.97
Efficacy and toxicity of CyberKnife re-irradiation and "dose dense" temozolomide for recurrent gliomas. Acta Neurochir (Wien) (2011) 0.97
A prospective observational trial on emesis in radiotherapy: analysis of 1020 patients recruited in 45 Italian radiation oncology centres. Radiother Oncol (2009) 0.95
Vibrational computations beyond the harmonic approximation: performances of the B3LYP density functional for semirigid molecules. J Comput Chem (2005) 0.94
Conformational characterization of lanthanide(III)-DOTA complexes by ab initio investigation in vacuo and in aqueous solution. J Am Chem Soc (2002) 0.91
Monte Carlo study of the dose enhancement effect of gold nanoparticles during X-ray therapies and evaluation of the anti-angiogenic effect on tumour capillary vessels. J Xray Sci Technol (2013) 0.91
Width distribution of contact lines on a disordered substrate. Phys Rev E Stat Nonlin Soft Matter Phys (2004) 0.90
Multiple pathways to the same end: mechanisms of myonuclear apoptosis in sarcopenia of aging. ScientificWorldJournal (2010) 0.90
Checking the pH-induced conformational transition of prion protein by molecular dynamics simulations: effect of protonation of histidine residues. Biophys J (2004) 0.90
Reliable structural, thermodynamic, and spectroscopic properties of organic molecules adsorbed on silicon surfaces from computational modeling: the case of glycine@Si(100). Phys Chem Chem Phys (2011) 0.90
Hydrogen and higher shell contributions in Zn2+, Ni2+, and Co2+ aqueous solutions: an X-ray absorption fine structure and molecular dynamics study. J Am Chem Soc (2002) 0.89
Assessing the acid-base and conformational properties of histidine residues in human prion protein (125-228) by means of pK(a) calculations and molecular dynamics simulations. Proteins (2006) 0.89
MD simulation of the Na+-phenylalanine complex in water: competition between cation-pi interaction and aqueous solvation. J Phys Chem B (2005) 0.89
Integration of functional neuroimaging in CyberKnife radiosurgery: feasibility and dosimetric results. Neurosurg Focus (2013) 0.89
Effective method for the computation of optical spectra of large molecules at finite temperature including the Duschinsky and Herzberg-Teller effect: the Qx band of porphyrin as a case study. J Chem Phys (2008) 0.89
Integrated computational approach to vibrationally resolved electronic spectra: anisole as a test case. J Chem Phys (2008) 0.89
Quantum mechanical study of the conformational behavior of proline and 4R-hydroxyproline dipeptide analogues in vacuum and in aqueous solution. J Comput Chem (2002) 0.88
Unraveling solvent-driven equilibria between alpha- and 3(10)-helices through an integrated spin labeling and computational approach. J Am Chem Soc (2007) 0.88
Paclitaxel and cisplatin in patients with recurrent and metastatic head and neck squamous cell carcinoma. Oral Oncol (2004) 0.88
Structural effects on the electronic absorption properties of 5,6-dihydroxyindole oligomers: the potential of an integrated experimental and DFT approach to model eumelanin optical properties. Photochem Photobiol (2008) 0.88
Towards an accurate description of anharmonic infrared spectra in solution within the polarizable continuum model: reaction field, cavity field and nonequilibrium effects. J Chem Phys (2011) 0.88
Extending the molecular size in accurate quantum-chemical calculations: the equilibrium structure and spectroscopic properties of uracil. Phys Chem Chem Phys (2011) 0.88
Short-lived quinonoid species from 5,6-dihydroxyindole dimers en route to eumelanin polymers: integrated chemical, pulse radiolytic, and quantum mechanical investigation. J Am Chem Soc (2006) 0.87
Lethal pulmonary complications significantly correlate with individually assessed mean lung dose in patients with hematologic malignancies treated with total body irradiation. Int J Radiat Oncol Biol Phys (2002) 0.87
On the performance of continuum solvation methods. A comment on "Universal approaches to solvation modeling". Acc Chem Res (2009) 0.87
Wider implications of video-assisted thoracic surgery versus open approach for lung metastasectomy. Future Oncol (2015) 0.87
UV-vis spectra of the anticancer camptothecin family drugs in aqueous solution: specific spectroscopic signatures unraveled by a combined computational and experimental study. J Phys Chem B (2009) 0.87
Semi-experimental equilibrium structure determinations by employing B3LYP/SNSD anharmonic force fields: validation and application to semirigid organic molecules. J Phys Chem A (2015) 0.87
Natural history of neurofibromatosis type 2 with onset before the age of 1 year. Neurogenetics (2013) 0.87
Implementation of a graphical user interface for the virtual multifrequency spectrometer: The VMS-Draw tool. J Comput Chem (2014) 0.87
Enlarged axillary nodes and position of the arms in axillary irradiation--a computed tomography and magnetic resonance imaging evaluation. Acta Oncol (2004) 0.86
On the interpretation of continuous wave electron spin resonance spectra of tempo-palmitate in 5-cyanobiphenyl. J Chem Phys (2008) 0.86
Ab initio modeling of CW-ESR spectra of the double spin labeled peptide Fmoc-(Aib-Aib-TOAC)2-Aib-OMe in acetonitrile. J Phys Chem B (2007) 0.85
The effects of ferulic acid on β-amyloid fibrillar structures investigated through experimental and computational techniques. Biochim Biophys Acta (2013) 0.85
Assessing the reliability of density functional methods in the conformational study of polypeptides: the treatment of intraresidue nonbonding interactions. J Comput Chem (2004) 0.85
Absorption and emission spectra of fluorescent silica nanoparticles from TD-DFT/MM/PCM calculations. Phys Chem Chem Phys (2011) 0.85
Radiotherapy of liver malignancies. From whole liver irradiation to stereotactic hypofractionated radiotherapy. Tumori (2004) 0.85
New hints on the Ph-driven tautomeric equilibria of the topotecan anticancer drug in aqueous solutions from an integrated spectroscopic and quantum-mechanical approach. J Am Chem Soc (2005) 0.85
Accurate molecular structure and spectroscopic properties of nucleobases: a combined computational-microwave investigation of 2-thiouracil as a case study. Phys Chem Chem Phys (2013) 0.84
The frontal assessment battery does not differentiate frontotemporal dementia from Alzheimer's disease. Dement Geriatr Cogn Disord (2006) 0.84
Assessment of a computational strategy approaching spectroscopic accuracy for structure, magnetic properties and vibrational frequencies of organic free radicals: the F(2)CN and F(2)BO case. Phys Chem Chem Phys (2008) 0.84
A parameter-free quantum-mechanical approach for calculating electron-transfer rates for large systems in solution. Chemphyschem (2006) 0.84
Protecting venous structures during radiosurgery for parasagittal meningiomas. Neurosurg Focus (2009) 0.84
Insight into the mechanism of action of plakortins, simple 1,2-dioxane antimalarials. Org Biomol Chem (2009) 0.84
Cytoreductive surgery and hyperthermic intrapleural chemotherapy for malignant pleural diseases: preliminary experience. Future Oncol (2015) 0.84
An integrated experimental and quantum-chemical investigation on the vibrational spectra of chlorofluoromethane. J Chem Phys (2013) 0.84
Quantum Chemistry Meets Spectroscopy for Astrochemistry: Increasing Complexity toward Prebiotic Molecules. Acc Chem Res (2015) 0.83
Extension of the AMBER force field to cyclic α,α dialkylated peptides. Phys Chem Chem Phys (2012) 0.83
Conformational and spectroscopic analysis of the tyrosyl radical dipeptide analogue in the gas phase and in aqueous solution by a density functional/continuum solvent model. J Am Chem Soc (2002) 0.83
Toward spectroscopic accuracy for organic free radicals: Molecular structure, vibrational spectrum, and magnetic properties of F(2)NO. J Chem Phys (2008) 0.83
Toward spectroscopic accuracy for open-shell systems: molecular structure and hyperfine coupling constants of H2CN, H2CP, NH2, and PH2 as test cases. J Chem Phys (2010) 0.83
Complete structural and magnetic characterization of biological radicals in solution by an integrated quantum mechanical approach: glycyl radical as a case study. J Chem Phys (2004) 0.83
Computational design, synthesis, and mechanochromic properties of new thiophene-based π-conjugated chromophores. Chemistry (2012) 0.83
Thiazolidin-4-one formation. Mechanistic and synthetic aspects of the reaction of imines and mercaptoacetic acid under microwave and conventional heating. Org Biomol Chem (2004) 0.83
The effects on pain and activity of daily living caused by crusted exudation in patients with head and neck cancer treated with cetuximab and radiotherapy. Support Care Cancer (2011) 0.83
Interplay between "neutral" and "charge-transfer" excimers rules the excited state decay in adenine-rich polynucleotides. Angew Chem Int Ed Engl (2011) 0.83
Patterns of recurrence of bronchioloalveolar cell carcinoma after surgical resection: a radiological, histological, and immunohistochemical study. Lung Cancer (2003) 0.83
Development of a virtual spectrometer for chiroptical spectroscopies: the case of nicotine. Chirality (2013) 0.83
Long-term therapy with temozolomide is a feasible option for newly diagnosed glioblastoma: a single-institution experience with as many as 101 temozolomide cycles. Neurosurg Focus (2014) 0.83
Absorption and fluorescence spectra of uracil in the gas phase and in aqueous solution: a TD-DFT quantum mechanical study. J Am Chem Soc (2004) 0.82
Understanding the role of stereoelectronic effects in determining collagen stability. 2. A quantum mechanical/molecular mechanical study of (Proline-Proline-Glycine)(n) polypeptides. J Am Chem Soc (2002) 0.82