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-Stacking interactions in YFP, quantum mechanics and force field evaluations in the S0 and S1 states
Elsevier | 2017|Keywords: Quantum mechanics calculations -
Zero-field NMR J-spectroscopy of organophosphorus compounds
Free accessBASE | 2021|Keywords: quantum mechanics -
Young’s modulus calculations for cellulose Iβ by MM3 and quantum mechanics
Springer Verlag | 2011|Keywords: Quantum mechanics -
Young’s modulus calculations for cellulose $ I_{β} $ by MM3 and quantum mechanics
Online Contents | 2011|Keywords: Quantum mechanics -
Young’s modulus calculations for cellulose $ I_{β} $ by MM3 and quantum mechanics
Online Contents | 2011|Keywords: Quantum mechanics -
X-ray structure and computational study for N-acryloyl-l-valine, a versatile monomer for preparing smart drug delivery carriers
Elsevier | 2012|Keywords: Semi-empirical quantum mechanics -
Workshop report on large-scale matrix diagonalization methods in chemistry theory institute
NTIS | 1996|Keywords: Quantum Mechanics -
Working tools for theoretical chemistry: Polanyi, eyring, and debates over the “semiempirical method”
Wiley | 2007|Keywords: quantum mechanics -
Why molecular structure cannot be strictly reduced to quantum mechanics
Online Contents | 2018|Keywords: Quantum mechanics -
Why does β-cyclodextrin prefer to bind nucleotides with an adenine base rather than other 2′-deoxyribonucleoside 5′-monophosphates?
Online Contents | 2017|Keywords: Quantum mechanics -
Why does β-cyclodextrin prefer to bind nucleotides with an adenine base rather than other 2′-deoxyribonucleoside 5′-monophosphates?
Springer Verlag | 2017|Keywords: Quantum mechanics -
Why does β-cyclodextrin prefer to bind nucleotides with an adenine base rather than other 2′-deoxyribonucleoside 5′-monophosphates?
Online Contents | 2017|Keywords: Quantum mechanics -
When Are Two Hydrogen Bonds Better than One? Accurate First-Principles Models Explain the Balance of Hydrogen Bond Donors and Acceptors Found in Proteins
Free accessChemRxiv | 2020|Keywords: Quantum Mechanics -
What Levels of Coupled Cluster Theory Are Appropriate for Transition Metal Systems? a Study Using near Exact Quantum Chemical Values for 3d Transition Metal Binary Compounds.
Free accessChemRxiv | 2019|Keywords: Quantum Mechanics -
What is an element? What is the periodic table? And what does quantum mechanics contribute to the question?
Online Contents | 2011|Keywords: Quantum mechanics
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