Search Result "Born-Oppenheimer approximation"
Quantum Chemistry in Drug Design: Density Function Theory (DFT) and Other Quantum Mechanics (QM)-related Approaches
Ebook: Applied Computer-Aided Drug Design: Models and Methods
Volume: 1 Year: 2023
Author(s):
Doi: 10.2174/9789815179934123010010
On the Autonomous Existence of Chemical Entities
Journal: Current Physical Chemistry
Volume: 1 Issue: 1 Year: 2011 Page: 69-75
Author(s): Olimpia Lombardi, Martin Labarca
First Principles Computational Biochemistry with deMon2k
Ebook: Frontiers in Computational Chemistry
Volume: 2 Year: 2015
Author(s): A. Alvarez-Ibarra,P. Calaminici,A. Goursot,C. Z. Gómez-Castro,R. Grande-Aztatzi,T. Mineva,D. R. Salahub,J. M. Vásquez-Pérez,A. Vela,B. Zuniga-Gutierrez,A. M. Köster
Doi: 10.2174/9781608059782115020009
Theory, Experiment and Unusual Features of Potential Energy Surfaces of Pericyclic and Pseudopericyclic Reactions with Sequential Transition Structures
Journal: Current Organic Chemistry
Volume: 14 Issue: 1 Year: 2010 Page: 1658-1668
Author(s): David Martin Birney
Gestational Diabetes Mellitus: A Review from 2004
Journal: Current Diabetes Reviews
Volume: 1 Issue: 2 Year: 2005 Page: 203-213
Author(s): Richard X. Davey
Drug Target Identification for Neuronal Apoptosis Through a Genome Scale Screening
Journal: Current Medicinal Chemistry
Volume: 17 Issue: 2 Year: 2010 Page: 2906-2920
Author(s): E.A. Tendi, R. Cunsolo, D. Bellia, R.L. Messina, S. Paratore, P. Calissano, S. Cavallaro
The Fundamentals of Molecular Simulations
Ebook: A Journey Through Water: A Scientific Exploration of The Most Anomalous Liquid on Earth
Volume: 1 Year: 2017
Author(s): Jestin Baby Mandumpal
Doi: 10.2174/9781681084237117010006
Applying Semi-Empirical Quantum Harmonic Calculations for Studying the Atomic Kinetic Energies in Hydrogen Bonded Systems
Journal: Current Physical Chemistry
Volume: 7 Issue: 1 Year: 2017 Page: 3-22
Author(s): Y. Finkelstein,R. Moreh
Perspective on the Role of Quantum Mechanical Calculations on Cellular Molecular Interactions
Ebook: Frontiers in Computational Chemistry
Volume: 7 Year: 2024
Author(s):
Doi: 10.2174/9789815179033124070002