Configurational Assignment of Cyclic Bisbibenzyls by HPLC-CD and Quantum-Chemical CD Calculations

Theoretical and Experimental Investigations of Circular Dichroism and Absolute Configuration Determination of Chiral Anthracene Photodimers

(2012) Ayako Wakai et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Vasorelaxant effects of macrocyclic bis(bibenzyls) from liverworts

(2011) Hiroshi Morita et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Stereochemical Investigation of Macrocyclic Bisbibenzyls with a Stereogenic Center at One of the Ethylene Bridges

(2011) Chun-Feng Xie et al.   HELVETICA CHIMICA ACTA

Determination of atropisomeric configurations of macrocyclic bisbibenzyls by HPLC-CD/UV and quantum chemical calculations

(2011) Li-Ning Wang et al.   JOURNAL OF ASIAN NATURAL PRODUCTS RESEARCH

Efficient time-dependent density functional theory approximations for hybrid density functionals: Analytical gradients and parallelization

(2011) Taras Petrenko et al.   JOURNAL OF CHEMICAL PHYSICS

A Computational Study (TDDFT and RICC2) of the Electronic Spectra of Pyranoanthocyanins in the Gas Phase and Solution

(2011) Angelo Domenico Quartarolo et al.   Journal of Chemical Theory and Computation

Assessment of TD-DFT- and TD-HF-based approaches for the prediction of exciton coupling parameters, potential energy curves, and electronic characters of electronically excited aggregates

(2011) Wenlan Liu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Macrocylic bisbibenzylnatural products and their chemical synthesis

(2011) David C. Harrowven et al.   NATURAL PRODUCT REPORTS

Syntheses of Macrocyclic Bis(bibenzyl) Compounds Derived from Perrottetin E

(2010) Andreas Speicher et al.   EUROPEAN JOURNAL OF ORGANIC CHEMISTRY

Assessment of TD-DFT methods and of various spin scaled CIS(D) and CC2 versions for the treatment of low-lying valence excitations of large organic dyes

(2010) Lars Goerigk et al.   JOURNAL OF CHEMICAL PHYSICS

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Efficient Structure Optimization with Second-Order Many-Body Perturbation Theory: The RIJCOSX-MP2 Method

(2010) Simone Kossmann et al.   Journal of Chemical Theory and Computation

Excited States of [3.3](4,4′)Biphenylophane: The Role of Charge-Transfer Excitations in Dimers With π−π Interaction

(2010) Mathias Pabst et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Antifungal macrocyclic bis(bibenzyls) from the Chinese liverwort Ptagiochasm intermedlum L.

(2010) Chun-Feng Xie et al.   NATURAL PRODUCT RESEARCH

Computing chiroptical properties with first-principles theoretical methods: Background and illustrative examples

(2009) Jochen Autschbach   CHIRALITY

Absolute structural elucidation of natural products-A focus on quantum-mechanical calculations of solid-state CD spectra

(2009) Gennaro Pescitelli et al.   CHIRALITY

The Assignment of Absolute Stereostructures through Quantum Chemical Circular Dichroism Calculations

(2009) Gerhard Bringmann et al.   EUROPEAN JOURNAL OF ORGANIC CHEMISTRY

Bryophytes: Bio- and Chemical Diversity, Bioactivity and Chemosystematics

(2009) Yoshinori Asakawa et al.   HETEROCYCLES

A Synthesis-Driven Structure Revision of ‘Plagiochin E’, a Highly Bioactive Bisbibenzyl

(2009) Andreas Speicher et al.   SYNLETT

Efficient, approximate and parallel Hartree–Fock and hybrid DFT calculations. A ‘chain-of-spheres’ algorithm for the Hartree–Fock exchange

(2008) Frank Neese et al.   CHEMICAL PHYSICS

Excitation energies in density functional theory: An evaluation and a diagnostic test

(2008) Michael J. G. Peach et al.   JOURNAL OF CHEMICAL PHYSICS

Calculation of Electronic Circular Dichroism Spectra with Time-Dependent Double-Hybrid Density Functional Theory

(2008) Lars Goerigk et al.   JOURNAL OF PHYSICAL CHEMISTRY A