Publications by authors named "Alan Gregorovic"

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Ab initio calculations of electric field gradients in H-bond rich molecular crystals with nearly experimental accuracy.
Alan Gregorovič

J Chem Phys· January 2025

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The many-body expansion approach to ab initio calculation of electric field gradients in molecular crystals.
Alan Gregorovič

J Chem Phys· March 2020

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N NQR spectroscopy reveals the proton position in N-HN bonds: a case study with proton sponges.
Alan Gregorovič, TomaŽ Apih, Veselko Žagar, Janez Seliger

Phys Chem Chem Phys· December 2018

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N NQR lineshape in nanocrystals: An ab initio investigation of urea.
Alan Gregorovič

J Chem Phys· May 2017

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(1)H-(14)N cross-relaxation spectrum analysis in sildenafil and sildenafil citrate.
Alan Gregorovič, Tomaž Apih, Janez Seliger

Solid State Nucl Magn Reson· September 2016

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Polymorphism and disorder in natural active ingredients. Low and high-temperature phases of anhydrous caffeine: Spectroscopic ((1)H-(14)N NMR-NQR/(14)N NQR) and solid-state computational modelling (DFT/QTAIM/RDS) study.
Janez Seliger, Veselko Žagar, Tomaž Apih, Alan Gregorovič, Magdalena Latosińska

Eur J Pharm Sci· March 2016

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Quantitative Analysis of Hydration Using Nitrogen-14 Nuclear Quadrupole Resonance.
Alan Gregorovič

Anal Chem· July 2015

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WURST-QCPMG sequence and "spin-lock" in ¹⁴N nuclear quadrupole resonance.
Alan Gregorovič, Tomaž Apih

J Magn Reson· August 2013

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Capacitor-based detection of nuclear magnetization: nuclear quadrupole resonance of surfaces.
Alan Gregorovič, Tomaž Apih, Ivan Kvasić, Janko Lužnik, Janez Pirnat

J Magn Reson· March 2011

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Aplicability of TNT "super-Q detection" to multipulse sequences.
Alan Gregorovic, Tomaz Apih

J Magn Reson· December 2009

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Improving 14N nuclear quadrupole resonance detection of trinitrotoluene using off-resonance effects.
Alan Gregorovic, Tomaz Apih

Solid State Nucl Magn Reson· October 2009

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TNT detection with 14N NQR: multipulse sequences and matched filter.
Alan Gregorovic, Tomaz Apih

J Magn Reson· June 2009

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Relaxation during spin-lock spin-echo pulse sequence in (14)N nuclear quadrupole resonance.
Alan Gregorovic, Tomaz Apih

J Chem Phys· December 2008

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17O and 29Si NMR parameters of MgSiO3 phases from high-resolution solid-state NMR spectroscopy and first-principles calculations.
Sharon E Ashbrook, Andrew J Berry, Daniel J Frost, Alan Gregorovic, Chris J Pickard

J Am Chem Soc· October 2007

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