Showing results (141-150 of 232) with videos related to
Sort By:
Pageof 24
Journal of Chemical Theory and Computation|April 11, 2020
Relativistic Two-Component Multireference Configuration Interaction Method with Tunable Correlation SpaceHang Hu, Andrew J Jenkins, Hongbin Liu, et al.Physical Chemistry Chemical Physics : PCCP|July 24, 2025
Computational efficiency meets spectroscopic accuracy: an unsupervised workflow for equilibrium geometries and vibrational effects in gas-phase prebiotic moleculesMarco Mendolicchio, Lina Uribe, Federico Lazzari, et al.Journal of Chemical Theory and Computation|December 14, 2023
M11pz: A Nonlocal Meta Functional with Zero Hartree-Fock Exchange and with Broad Accuracy for Chemical Energies and StructuresSiriluk Kanchanakungwankul, Pragya Verma, Benjamin G Janesko, et al.Journal of Chemical Theory and Computation|September 7, 2017
Comparative Study of Nonhybrid Density Functional Approximations for the Prediction of 3d Transition Metal ThermochemistryJohn J Determan, Katelyn Poole, Giovanni Scalmani, et al.The Journal of Chemical Physics|May 26, 2007
First hyperpolarizability of polymethineimine with long-range corrected functionalsDenis Jacquemin, Eric A Perpète, Miroslav Medved', et al.Journal of Chemical Theory and Computation|January 29, 2019
Time-Dependent Complete Active Space Embedded in a Polarizable Force FieldHongbin Liu, Andrew J Jenkins, Andrew Wildman, et al.Chirality|July 29, 2003
Determination of absolute configuration using ab initio calculation of optical rotationP J Stephens, F J Devlin, J R Cheeseman, et al.Physical Review Letters|November 19, 2013
Coherent-radiation spectroscopy of few-femtosecond electron bunches using a middle-infrared prism spectrometerT J Maxwell, C Behrens, Y Ding, et al.Blood|May 19, 2012
Osteoblastic N-cadherin is not required for microenvironmental support and regulation of hematopoietic stem and progenitor cellsOlga Bromberg, Benjamin J Frisch, Jonathan M Weber, et al.The Journal of Organic Chemistry|April 3, 2004
Determination of absolute configuration using concerted ab Initio DFT calculations of electronic circular dichroism and optical rotation: bicyclo[3.3.1]nonane dionesP J Stephens, D M McCann, E Butkus, et al.Pageof 24