Search Result "ab initio calculations"
Principles, Challenges and Advances in ab initio Protein Structure Prediction
Journal: Protein & Peptide Letters
Volume: 19 Issue: 11 Year: 2012 Page: 1194-1204
Author(s): Arunachalam Jothi
Small Angle Scattering and ab initio Modeling
Ebook: Advances in Physicochemical Properties of Biopolymers (Part 1)
Volume: 1 Year: 2017
Author(s): Denis Renard,C. Sanchez
Doi: 10.2174/9781681084534117010006
Ab initio Energy Gap Calculations of ZnO Nanowires Based on LDA-1/2 Approach
Journal: Nanoscience & Nanotechnology-Asia
Volume: 4 Issue: 2 Year: 2014 Page: 124-131
Author(s): Mauro Ribeiro
Ab initio study of the LOM-AKH-I peptide in gas phase environment
Journal: Protein & Peptide Letters
Volume: 7 Issue: 2 Year: 2000 Page: 113-116
Author(s): Igor Z. Zubrzycki
The Photochemical Isomerization of Pyrazoles: An AB Initio Study
Journal: Letters in Organic Chemistry
Volume: 1 Issue: 1 Year: 2004 Page: 12-19
Author(s): Maurizio DAuria, Rocco Racioppi
From Relative to Absolute Configuration of Complex Natural Products: Interplay Between NMR, ECD, VCD, and ORD Assisted by ab initio Calculations
Journal: Current Organic Chemistry
Volume: 14 Issue: 1 Year: 2010 Page: 1612-1628
Author(s): Ana G. Petrovic, Armando Navarro-Vazquez, Jose Lorenzo Alonso-Gomez
Integrated Web-Based ab initio Modeling Platform for G-protein Coupled Receptors
Journal: Letters in Drug Design & Discovery
Volume: 8 Issue: 2 Year: 2011 Page: 159-171
Author(s): Govindan Subramanian, Manish Sud, Sam Billakanti, Adel Laoui
Towards “ab-initio” Computations of Electron Transfer Rates: the Early Electron Transfer Steps in Bacterial Photosynthetic Reaction Centers
Journal: Current Organic Chemistry
Volume: 14 Issue: 2 Year: 2010 Page: 90-105
Author(s): Andrea Peluso
Evaluation of Chemotherapeutic Activity of the Selected Basesâ Analogues of Nucleic Acids Supported by ab initio Various Quantum Chemical Calculations
Journal: Current Computer-Aided Drug Design
Volume: 16 Issue: 2 Year: 2020 Page: 93-103
Author(s): Piotr Kawczak,Leszek Bober,Tomasz BÄ
czek
Silicon Prismanes: Calculation and Comparison of Heats of Formation
Journal: Recent Innovations in Chemical Engineering
Volume: 15 Issue: 4 Year: 2022 Page: 247-260
Author(s): Elena A. Zauer,Alexander B. Ershov