相关参考文献
注意：仅列出部分参考文献，下载原文获取全部文献信息。A new release of MOPAC incorporating the INDO/S semiempirical model with CI excited states
Rebecca L. M. Gieseking
JOURNAL OF COMPUTATIONAL CHEMISTRY (2021)
Nematic and smectic bithiophenes for UV sensing mechanism: Comparative calculations on different homologues
P. Lakshmi Praveen
JOURNAL OF MOLECULAR LIQUIDS (2021)
Translational and rotational phase ordering of symmetric dimer mesogens: Molecular rigidity effect
D. S. Ramakrishna et al.
JOURNAL OF MOLECULAR STRUCTURE (2021)
Stability, Phase and Absorption Analysis of 4-Alkenyl Bicyclohexylnitrile: Thermodynamic and Spectroscopic Approaches
Rashmi Rekha Sahoo et al.
JOURNAL OF PHYSICAL SCIENCE (2021)
Structure and optical properties of the 4-cyano-4′-n-pentylbiphenyl dimers and trimers
Tatiana Andreeva et al.
LIQUID CRYSTALS (2020)
Textural and electro-optical study of a room temperature nematic liquid crystal 4-pentyl-4-biphenylcarbonitrile doped with metal oxide nanowires in planar and in-plane switching cell configurations
Amit Sharma et al.
LIQUID CRYSTALS (2020)
Mesophase Behaviour of a Cyanobiphenyl Molecule in Polar Aprotic Solvent: Rigidity Effect
Suraj Kumar Nayak et al.
JOURNAL OF PHYSICAL SCIENCE (2020)
Structures and phase transition in a two-dimensional system of Gay-Berne molecules
Pallabi Kundu et al.
JOURNAL OF MOLECULAR LIQUIDS (2019)
Computational study of molecular geometries, and vibrational characteristics of two liquid crystalline disubstituted biphenylcyclohexanes using ab-initio methods
Seema Prasad et al.
MOLECULAR CRYSTALS AND LIQUID CRYSTALS (2019)
Omnidirectional Reflection Band of One-dimensional Periodic Structure (1DPS) of Si/SiO2 with Defect Mode of Nematic Liquid Crystal (5CB)
Pawan Singh et al.
JOURNAL OF PHYSICAL SCIENCE (2019)
Temperature-dependent vibrational spectroscopic studies of pure and gold nanoparticles dispersed 4-n-Hexyloxy-4'-cyanobiphenyls
Ramanuj Mishra et al.
LIQUID CRYSTALS (2018)
Temperature-dependent UV absorption of biphenyl based on intra-molecular rotation investigated within a combined experimental and TD-DFT approach
Adriana Pietropaolo et al.
LIQUID CRYSTALS (2018)
7-Hexyloxy-3-[4'-(3-methylbutyloxy) phenyl]-4H-1-benzopyran-4-one: Study of Smectic behaviour and UV absorption profile
P. Lakshmi Praveen
MOLECULAR CRYSTALS AND LIQUID CRYSTALS (2018)
Theoretical study on ultraviolet profile and chemical reactivity descriptors of fluorinated liquid crystals: Effect of end chain length and substituent
T. Jaison Jose et al.
MOLECULAR CRYSTALS AND LIQUID CRYSTALS (2018)
Theoretical Model of a Nematogen: Estimation of Phase Stability, Absorption, Electrochemical, and Nonlinear Optical Properties
T. Jaison Jose et al.
ACTA PHYSICA POLONICA A (2018)
Modeling Optical Spectra of Large Organic Systems Using Real-Time Propagation of Semiempirical Effective Hamiltonians
Soumen Ghosh et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2017)
UV spectral characterization of a smectic-C liquid crystal: Theoretical support to the experiment
P. Lakshmi Praveen et al.
MOLECULAR CRYSTALS AND LIQUID CRYSTALS (2017)
Optical absorption behavior and spectral shifts of fluorinated liquid crystals in ultraviolet region: A comparative study based on DFT and semiempirical approaches
P. Lakshmi Praveen et al.
JOURNAL OF MOLECULAR LIQUIDS (2014)
Role of molecular interactions and end chain length on the photosensitivity of liquid crystalline alkyl cyanobiphenyl dimers - UV absorption-based approach through DFT calculations
P. Lakshmi Praveen et al.
PHASE TRANSITIONS (2014)
Calculation of spectral shifts in UV-visible region and photo stability of thermotropic liquid crystals: Solvent and alkyl chain length effects
P. Lakshmi Praveen et al.
JOURNAL OF MOLECULAR LIQUIDS (2012)
Structure and electronic absorption spectra of nematogenic alkoxycinnamic acids - a comparative study based on semiempirical and DFT methods
Pogula Lakshmi Praveen et al.
JOURNAL OF MOLECULAR MODELING (2012)
Calculation of spectral shifts in UV-visible region and photoresponsive behaviour of fluorinated liquid crystals: Effect of solvent and substituent
P. Lakshmi Praveen et al.
MATERIALS CHEMISTRY AND PHYSICS (2012)
Estimation of Configurational Probability and Phase Behaviour of N-n-undecyl-D-gluconamide having V-Shaped Conformation - A Molecular Simulation Approach
P. Lakshmi Praveen et al.
ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES (2012)
Estimation of configurational entropy and stability of nematic phase in mesogens - Role of molecular interactions
P. Lakshmi Praveen et al.
JOURNAL OF MOLECULAR LIQUIDS (2011)
Molecular Structure and Conformational Behavior of a NematogenA Statistical Approach
P. Lakshmi Praveen et al.
MOLECULAR CRYSTALS AND LIQUID CRYSTALS (2011)
分享论文
