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K. V. Jovan Jose

Observed names: Jose, J., Jose, K. V. Jovan, Jose, K.V. Jovan, Jose, K.V.Jovan, Jovan Jose, Jovan Jose K. V., Jovan Jose, KV, K.V. Jovan Jose, K.V.Jovan Jose
ORCID: 0000-0001-7566-1071
Observed ORCID: 0000-0001-7566-1071
OpenAlex ID: A5069274406
Significant progress in predicting the crystal structures of small organic molecules – a report on the fourth blind test
2009 · Graeme M. Day, Timothy G. Cooper, et al. · Acta Crystallographica Section B Structural Science · 434
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Towards crystal structure prediction of complex organic compounds – a report on the fifth blind test
2011 · David A. Bardwell, Claire S. Adjiman, et al. · Acta Crystallographica Section B Structural Science · 421
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Construction of high-dimensional neural network potentials using environment-dependent atom pairs
2012 · K. V. Jovan Jose, Nongnuch Artrith, et al. · The Journal of Chemical Physics · 127
The seventh blind test of crystal structure prediction: structure generation methods
2024 · Lily M. Hunnisett, Jonas Nyman, et al. · Acta Crystallographica Section B Structural Science Crystal Engineering and Materials · 92
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The seventh blind test of crystal structure prediction: structure ranking methods
2024 · Lily M. Hunnisett, Nicholas Francia, et al. · Acta Crystallographica Section B Structural Science Crystal Engineering and Materials · 80
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Is there a hydrogen bond radius? Evidence from microwave spectroscopy, neutron scattering and X-ray diffraction results
2005 · B. Lakshmi, A. G. Samuelson, et al. · New Journal of Chemistry · 59
Effect of matrix on IR frequencies of acetylene and acetylene-methanol complex: Infrared matrix isolation and ab initio study
2007 · K. V. Jovan Jose, Shridhar R. Gadre, et al. · The Journal of Chemical Physics · 50
Fragment-Based Approach for the Evaluation of NMR Chemical Shifts for Large Biomolecules Incorporating the Effects of the Solvent Environment
2017 · K. V. Jovan Jose, Krishnan Raghavachari · Journal of Chemical Theory and Computation · 45
Vibrational Circular Dichroism Spectra for Large Molecules through Molecules-in-Molecules Fragment-Based Approach
2015 · K. V. Jovan Jose, Daniel Beckett, et al. · Journal of Chemical Theory and Computation · 45
Evaluation of Energy Gradients and Infrared Vibrational Spectra through Molecules-in-Molecules Fragment-Based Approach
2015 · K. V. Jovan Jose, Krishnan Raghavachari · Journal of Chemical Theory and Computation · 41
Iodo-Cycloisomerization of Aryl(indol-3-yl)methane-Tethered Propargyl Alcohols to 3-Iodocarbazoles via Selective 1,2-Alkyl Migration
2018 · Srinivasarao Yaragorla, Debojyoti Bag, et al. · ACS Omega · 38
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Cascading Effect of Large Molecular Motion in Crystals: A Topotactic Polymorphic Transition Paves the Way to Topochemical Polymerization
2023 · Cijil Raju, Gunjan R. Ramteke, et al. · Journal of the American Chemical Society · 37
Assessment of Fragmentation Strategies for Large Proteins Using the Multilayer Molecules-in-Molecules Approach
2018 · Bishnu Thapa, Daniel Beckett, et al. · Journal of Chemical Theory and Computation · 37
An ab initio investigation on (CO2)n and CO2(Ar)m clusters: Geometries and IR spectra
2008 · K. V. Jovan Jose, Shridhar R. Gadre · The Journal of Chemical Physics · 37
Molecular tailoring approach for exploring structures, energetics and properties of clusters
2010 · Shridhar R. Gadre, K. V. Jovan Jose, et al. · Journal of Chemical Sciences · 35
Raman Optical Activity Spectra for Large Molecules through Molecules-in-Molecules Fragment-Based Approach
2016 · K. V. Jovan Jose, Krishnan Raghavachari · Journal of Chemical Theory and Computation · 34
Dimension Engineering of Stimuli‐Responsive 1D Molecular Crystals into Unusual 2D and 3D Zigzag Waveguides
2023 · Mari Annadhasan, Avulu Vinod Kumar, et al. · Angewandte Chemie International Edition · 33
Carbazole-based π-conjugated 2,2′-Bipyridines, a new class of organic chromophores: Photophysical, ultrafast nonlinear optical and computational studies
2020 · Ramakrishna Bodapati, Gaurav Ranjan Dey, et al. · Dyes and Pigments · 30
Electrostatic guidelines and molecular tailoring for density functional investigation of structures and energetics of (Li)n clusters
2008 · Jovan Jose K. V., Shridhar R. Gadre · The Journal of Chemical Physics · 30
Molecules-in-molecules fragment-based method for the evaluation of Raman spectra of large molecules
2015 · K.V. Jovan Jose, Krishnan Raghavachari · Molecular Physics · 24
Ab initio study on (CO2)nclusters via electrostatics‐ and molecular tailoring‐based algorithm
2009 · K. V. Jovan Jose, Shridhar R. Gadre · International Journal of Quantum Chemistry · 21
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Molecules‐in‐molecules fragment‐based method for the calculation of chiroptical spectra of large molecules: Vibrational circular dichroism and Raman optical activity spectra of alanine polypeptides
2016 · K. V. Jovan Jose, Krishnan Raghavachari · Chirality · 18
Fragment-Based Approaches for Supramolecular Interaction Energies: Applications to Foldamers and Their Complexes with Anions
2018 · Sibali Debnath, Arkajyoti Sengupta, et al. · Journal of Chemical Theory and Computation · 14
Synthetic access to calix[3]pyrroles via meso -expansion: hosts with diverse guest chemistry
2020 · B. Sathish Kumar, Narendra N. Pati, et al. · Chemical Communications · 13
Meso-Free Boron(III)subchlorin and Its μ-Oxo Dimer with Interacting Chromophores
2020 · Brijesh Chandra, Rahul Soman, et al. · Organic Letters · 10
Works count: 84
Citation count: 1,875
H-index: 21
I10-index: 25
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