Published in J Mol Model on January 11, 2013
Solvent effects on polarizability and hyperpolarizability of spirobifluorene derivative. J Mol Model (2014) 0.86
Approaches for optimizing the first electronic hyperpolarizability of conjugated organic molecules. Science (1991) 1.69
Organic nonlinear optical materials: where we have been and where we are going. Chem Commun (Camb) (2005) 1.25
Basis set and electron correlation effects on the polarizability and second hyperpolarizability of model open-shell pi-conjugated systems. J Chem Phys (2005) 1.08
Evolution of linear absorption and nonlinear optical properties in V-shaped ruthenium(II)-based chromophores. J Am Chem Soc (2010) 0.94
The excess electron in a boron nitride nanotube: pyramidal NBO charge distribution and remarkable first hyperpolarizability. Chemistry (2012) 0.93
Switchable nonlinear optical metallochromophores with pyridinium electron acceptor groups. Acc Chem Res (2006) 0.89
Syntheses and properties of two-dimensional charged nonlinear optical chromophores incorporating redox-switchable cis-tetraammineruthenium(II) centers. J Am Chem Soc (2005) 0.87
Photoinduced intramolecular electron transfer in ruthenium and osmium polyads: insights from theory. J Am Chem Soc (2004) 0.83
Reversible redox-switchable second-order optical nonlinearity in polyoxometalate: a quantum chemical study of [PW11O39(ReN)]n- (n = 3-7). Inorg Chem (2008) 0.82
Theoretical investigation on redox-switchable second-order nonlinear optical responses of push-pull Cp*CoEt2C2B4H3-expanded (metallo)porphyrins. J Comput Chem (2011) 0.82
Syntheses and spectroscopic and quadratic nonlinear optical properties of extended dipolar complexes with ruthenium(II) ammine electron donor and N-methylpyridinium acceptor groups. J Am Chem Soc (2004) 0.81
Time-dependent density-functional theory. Phys Chem Chem Phys (2009) 0.80
Synthesis, molecular and electronic structures of six-coordinate transition metal (Mn, Fe, Co, Ni, Cu, and Zn) complexes with redox-active 9-hydroxyphenoxazin-1-one ligands. Inorg Chem (2011) 0.80
Reversible intercyclobutadiene haptotropism in cyclopentadienylcobalt linear [4]phenylene. Chem Commun (Camb) (2011) 0.79
An effective method for accurate prediction of the first hyperpolarizability of alkalides. J Comput Chem (2011) 3.28
Quantum chemical research on structures, linear and nonlinear optical properties of the Li@n-acenes salt (n = 1, 2, 3, and 4). J Phys Chem A (2011) 0.97
The excess electron in a boron nitride nanotube: pyramidal NBO charge distribution and remarkable first hyperpolarizability. Chemistry (2012) 0.93
A novel tomato MYC-type ICE1-like transcription factor, SlICE1a, confers cold, osmotic and salt tolerance in transgenic tobacco. Plant Physiol Biochem (2013) 0.83
Spiral intramolecular charge transfer and large first hyperpolarizability in Möbius cyclacenes: new insight into the localized π electrons. Chemphyschem (2012) 0.82
Heterology expression of the sweet pepper CBF3 gene confers elevated tolerance to chilling stress in transgenic tobacco. J Plant Physiol (2011) 0.82
Carborane tuning on iridium complexes: redox-switchable second-order NLO responses. J Mol Model (2015) 0.82
Effect of dehydrogenation/hydrogenation on the linear and nonlinear optical properties of Li@porphyrins. J Mol Model (2012) 0.81
After the electronic field: structure, bonding, and the first hyperpolarizability of HArF. J Comput Chem (2013) 0.81
Modulating the charge transfer of D-S-A molecules: structures and NLO properties. J Phys Chem A (2015) 0.80
Electronic structures and nonlinear optical properties of highly deformed halofullerenes C(3v) C60F18 and D(3d) C60Cl30. J Comput Chem (2010) 0.79
The V-shaped polar molecules encapsulated into Cs (10528)-C72: stability and nonlinear optical response. Dalton Trans (2014) 0.79
Isomeric thiophene-fused benzocarborane molecules--different lithium doping effect on the nonlinear optical property. Dalton Trans (2013) 0.79
A tomato endoplasmic reticulum (ER)-type omega-3 fatty acid desaturase (LeFAD3) functions in early seedling tolerance to salinity stress. Plant Cell Rep (2013) 0.79
An accurate density functional theory calculation for electronic excitation energies: the least-squares support vector machine. J Chem Phys (2009) 0.79
The symmetric and asymmetric thiophene-fused benzocarborane: structures and first hyperpolarizabilities. J Mol Model (2013) 0.79
One lithium atom binding with P-nitroaniline: lithium salts or lithium electrides? J Mol Model (2015) 0.79
An accurate and efficient method to predict the electronic excitation energies of BODIPY fluorescent dyes. J Comput Chem (2012) 0.78
Quantum chemical study of redox-switchable second-order nonlinear optical responses of D-π-A system BNbpy and metal Pt(II) chelate complex. J Phys Chem A (2011) 0.77
Improving the accuracy of low level quantum chemical calculation for absorption energies: the genetic algorithm and neural network approach. Phys Chem Chem Phys (2009) 0.77
Antisense-mediated suppression of tomato thylakoidal ascorbate peroxidase influences anti-oxidant network during chilling stress. Plant Physiol Biochem (2012) 0.77
Theoretical investigation on the 2e/12c bond and second hyperpolarizability of azaphenalenyl radical dimers: strength and effect of dimerization. J Chem Phys (2013) 0.77
Superatoms (Li3O and BeF3) induce phenalenyl radical π-dimer: fascinating interlayer charge-transfer and large NLO responses. Dalton Trans (2014) 0.77
A four-unit [c2]daisy chain connected by hydrogen bonds. Chem Commun (Camb) (2015) 0.76
Computational study: how redox affect the nonlinear optical properties of donor substituted heteroleptic bis-tridentate Ru(II) complexes? J Mol Graph Model (2012) 0.75
Switchable NLO response induced by rotation of metallacarboranes [Ni(III/IV)(C2B9H11)2](-/0) and C-,B-functionalized derivatives. Dalton Trans (2014) 0.75
Evidence that the amino acid residue Cys117 of chloroplastic monodehydroascorbate reductase is involved in its activity and structural stability. Int J Biol Macromol (2010) 0.75
Computational investigation on redox-switchable nonlinear optical properties of a series of polycyclic p-quinodimethane molecules. J Mol Model (2013) 0.75
Overexpression of tomato enhancer of SOS3-1 (LeENH1) in tobacco enhanced salinity tolerance by excluding Na+ from the cytosol. Plant Physiol Biochem (2013) 0.75
Theoretical investigations on electronic spectra and the redox-switchable second-order nonlinear optical responses of rhodium(I)-9,10-phenanthrenediimine complexes. J Mol Graph Model (2011) 0.75
TDDFT studies on electronic structures, chiroptical properties and solvent effect on the CD spectra of diphosphonate-functionalized polyoxomolybdates. J Mol Graph Model (2013) 0.75
[Cloning, expression and transcription specificity analysis of two tyrosinases from Schistosoma japonicum]. Zhongguo Ji Sheng Chong Xue Yu Ji Sheng Chong Bing Za Zhi (2014) 0.75
Theoretical studies on the photoisomerization-switchable second-order nonlinear optical responses of DTE-linked polyoxometalate derivatives. J Mol Graph Model (2013) 0.75
MP2 theory investigation on the halides of D6hC36:C36Xn (X=F,Cl,Br; n=2,4,6,12). J Chem Phys (2006) 0.75
Theoretical exploration of photoisomerization-switchable second-order nonlinear optical responses of two-dimendional λ- and w-shaped polyoxometalate derivatives of dithienylperfluorocyclopentene. J Phys Chem A (2013) 0.75
[Prokaryotic expression and function analysis of Schistosoma japonicum calpain]. Zhongguo Ji Sheng Chong Xue Yu Ji Sheng Chong Bing Za Zhi (2014) 0.75
Third-order nonlinear optical properties of molecules containing aromatic diimides: effects of the aromatic core size and a redox-switchable modification. J Mol Graph Model (2013) 0.75
Redox control of ferrocene-based complexes with systematically extended π-conjugated connectors: switchable and tailorable second order nonlinear optics. Phys Chem Chem Phys (2014) 0.75
The Effect of the different spin multiplicity on nonlinear optical properties of lithium decahydroborate dimers. J Mol Model (2014) 0.75
Bonding interactions between sulfur dioxide (SO₂) and mono-ruthenium(II)-substituted Keggin-type polyoxometalates: electronic structures of ruthenium-SO₂ adducts. Phys Chem Chem Phys (2014) 0.75
Ferrocene/fullerene hybrids showing large second-order nonlinear optical activities: impact of the cage unit size. Dalton Trans (2015) 0.75
Superalkali atoms bonding to the phenalenyl radical: structures, intermolecular interaction and nonlinear optical properties. J Mol Model (2015) 0.75
Modulation of the second-order nonlinear optical properties of the two-dimensional pincer Ru(II) complexes: substituent effect and proton abstraction switch. J Phys Chem A (2012) 0.75
Thermochemical stabilities, electronic structures, and optical properties of C56X10 (X = H, F, and Cl) fullerene compounds. J Comput Chem (2010) 0.75
Strategy for enhancing second-order nonlinear optical properties of the Pt(II) dithienylethene complexes: substituent effect, π-conjugated influence, and photoisomerization switch. J Phys Chem A (2013) 0.75
Influence of spiral framework on nonlinear optical materials. Chemphyschem (2014) 0.75
Structures and electro-optical properties of Möbius [n]Cyclacenes[13-18]: a theoretical study. J Mol Model (2014) 0.75
Electronic structures and optical properties of the IPR-violating C60X8 (X = H, F, and Cl) fullerene compounds: a computational study. Phys Chem Chem Phys (2012) 0.75
The origin of the unusual broad and intense visible absorption of tetrathiafulvalene-annulated zinc porphyrazine: a density functional theory study. J Mol Graph Model (2011) 0.75
DFT characterization on the mechanism of water splitting catalyzed by single-Ru-substituted polyoxometalates. Dalton Trans (2013) 0.75
TDDFT studies on the determination of the absolute configurations and chiroptical properties of Strandberg-type polyoxometalates. J Phys Chem A (2013) 0.75
Theoretical study on the relationship between spin multiplicity effects and nonlinear optical properties of the pyrrole radical (C4H4N.). J Phys Chem A (2007) 0.75